HEADER IMMUNE SYSTEM 05-DEC-24 9KWE TITLE CRYO-EM STRUCTURE OF THE ICT01-BTN3A1/BTN3A2 COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: BUTYROPHILIN SUBFAMILY 3 MEMBER A2; COMPND 3 CHAIN: E; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: BUTYROPHILIN SUBFAMILY 3 MEMBER A1; COMPND 7 CHAIN: F; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: ICT01 HEAVY CHAIN; COMPND 11 CHAIN: H; COMPND 12 ENGINEERED: YES; COMPND 13 MOL_ID: 4; COMPND 14 MOLECULE: ICT01 LIGHT CHAIN; COMPND 15 CHAIN: L; COMPND 16 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: BTN3A2, BT3.2, BTF3, BTF4; SOURCE 6 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 8 EXPRESSION_SYSTEM_CELL_LINE: EXPIHEK293F; SOURCE 9 MOL_ID: 2; SOURCE 10 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 11 ORGANISM_COMMON: HUMAN; SOURCE 12 ORGANISM_TAXID: 9606; SOURCE 13 GENE: BTN3A1, BTF5; SOURCE 14 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 15 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 16 EXPRESSION_SYSTEM_CELL_LINE: EXPIHEK293F; SOURCE 17 MOL_ID: 3; SOURCE 18 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 19 ORGANISM_TAXID: 9606; SOURCE 20 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 21 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 22 EXPRESSION_SYSTEM_CELL_LINE: EXPIHEK293F; SOURCE 23 MOL_ID: 4; SOURCE 24 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 25 ORGANISM_TAXID: 9606; SOURCE 26 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 27 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 28 EXPRESSION_SYSTEM_CELL_LINE: EXPIHEK293F KEYWDS RECEPTOR, IMMUNE SYSTEM EXPDTA ELECTRON MICROSCOPY AUTHOR W.Z.XIN,B.D.HUANG,Q.ZHOU REVDAT 1 10-DEC-25 9KWE 0 JRNL AUTH W.Z.XIN,B.D.HUANG,Q.ZHOU JRNL TITL CRYO-EM STRUCTURE OF THE ICT01-BTN3A1/BTN3A2 COMPLEX AT 3.7 JRNL TITL 2 ANGSTROMS REOLUTION JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 3.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : EPU, PHENIX, RELION, EMAN2, PHENIX REMARK 3 RECONSTRUCTION SCHEMA : NULL REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : NULL REMARK 3 REFINEMENT SPACE : NULL REMARK 3 REFINEMENT PROTOCOL : NULL REMARK 3 REFINEMENT TARGET : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL REMARK 3 REMARK 3 FITTING PROCEDURE : NULL REMARK 3 REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 3.700 REMARK 3 NUMBER OF PARTICLES : 311879 REMARK 3 CTF CORRECTION METHOD : PHASE FLIPPING AND AMPLITUDE REMARK 3 CORRECTION REMARK 3 REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL REMARK 3 REMARK 3 OTHER DETAILS: NULL REMARK 4 REMARK 4 9KWE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 06-DEC-24. REMARK 100 THE DEPOSITION ID IS D_1300054287. REMARK 245 REMARK 245 EXPERIMENTAL DETAILS REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE REMARK 245 SPECIMEN TYPE : NULL REMARK 245 REMARK 245 ELECTRON MICROSCOPE SAMPLE REMARK 245 SAMPLE TYPE : PARTICLE REMARK 245 PARTICLE TYPE : POINT REMARK 245 NAME OF SAMPLE : ICT01-BTN3A1/BTN3A2 TETRAMER REMARK 245 COMPLEX REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 7.40 REMARK 245 SAMPLE DETAILS : NULL REMARK 245 REMARK 245 DATA ACQUISITION REMARK 245 DATE OF EXPERIMENT : NULL REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : NULL REMARK 245 TEMPERATURE (KELVIN) : NULL REMARK 245 MICROSCOPE MODEL : TFS KRIOS REMARK 245 DETECTOR TYPE : GATAN K3 (6K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 1200.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 2000.00 REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 NOMINAL CS : 2.70 REMARK 245 IMAGING MODE : BRIGHT FIELD REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 5000.00 REMARK 245 ILLUMINATION MODE : SPOT SCAN REMARK 245 NOMINAL MAGNIFICATION : NULL REMARK 245 CALIBRATED MAGNIFICATION : NULL REMARK 245 SOURCE : FIELD EMISSION GUN REMARK 245 ACCELERATION VOLTAGE (KV) : 300 REMARK 245 IMAGING DETAILS : NULL REMARK 247 REMARK 247 ELECTRON MICROSCOPY REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION REMARK 247 OF THE STRUCTURE FACTORS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, H, L REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET E 8 REMARK 465 ASP E 9 REMARK 465 MET E 10 REMARK 465 ARG E 11 REMARK 465 VAL E 12 REMARK 465 PRO E 13 REMARK 465 ALA E 14 REMARK 465 GLN E 15 REMARK 465 LEU E 16 REMARK 465 LEU E 17 REMARK 465 GLY E 18 REMARK 465 LEU E 19 REMARK 465 LEU E 20 REMARK 465 LEU E 21 REMARK 465 LEU E 22 REMARK 465 TRP E 23 REMARK 465 LEU E 24 REMARK 465 SER E 25 REMARK 465 GLY E 26 REMARK 465 ALA E 27 REMARK 465 ARG E 28 REMARK 465 CYS E 29 REMARK 465 PHE E 242 REMARK 465 ARG E 243 REMARK 465 SER E 244 REMARK 465 ALA E 245 REMARK 465 GLN E 246 REMARK 465 PRO E 247 REMARK 465 TRP E 248 REMARK 465 ILE E 249 REMARK 465 ALA E 250 REMARK 465 ALA E 251 REMARK 465 LEU E 252 REMARK 465 ALA E 253 REMARK 465 GLY E 254 REMARK 465 THR E 255 REMARK 465 LEU E 256 REMARK 465 PRO E 257 REMARK 465 ILE E 258 REMARK 465 LEU E 259 REMARK 465 LEU E 260 REMARK 465 LEU E 261 REMARK 465 LEU E 262 REMARK 465 LEU E 263 REMARK 465 ALA E 264 REMARK 465 GLY E 265 REMARK 465 ALA E 266 REMARK 465 SER E 267 REMARK 465 TYR E 268 REMARK 465 PHE E 269 REMARK 465 LEU E 270 REMARK 465 TRP E 271 REMARK 465 ARG E 272 REMARK 465 GLN E 273 REMARK 465 GLN E 274 REMARK 465 LYS E 275 REMARK 465 GLU E 276 REMARK 465 ILE E 277 REMARK 465 THR E 278 REMARK 465 ALA E 279 REMARK 465 LEU E 280 REMARK 465 SER E 281 REMARK 465 SER E 282 REMARK 465 GLU E 283 REMARK 465 ILE E 284 REMARK 465 GLU E 285 REMARK 465 SER E 286 REMARK 465 GLU E 287 REMARK 465 GLN E 288 REMARK 465 GLU E 289 REMARK 465 MET E 290 REMARK 465 LYS E 291 REMARK 465 GLU E 292 REMARK 465 MET E 293 REMARK 465 GLY E 294 REMARK 465 TYR E 295 REMARK 465 ALA E 296 REMARK 465 ALA E 297 REMARK 465 THR E 298 REMARK 465 GLU E 299 REMARK 465 ARG E 300 REMARK 465 GLU E 301 REMARK 465 ILE E 302 REMARK 465 SER E 303 REMARK 465 LEU E 304 REMARK 465 ARG E 305 REMARK 465 GLU E 306 REMARK 465 SER E 307 REMARK 465 LEU E 308 REMARK 465 GLN E 309 REMARK 465 GLU E 310 REMARK 465 GLU E 311 REMARK 465 LEU E 312 REMARK 465 LYS E 313 REMARK 465 ARG E 314 REMARK 465 LYS E 315 REMARK 465 LYS E 316 REMARK 465 ILE E 317 REMARK 465 GLN E 318 REMARK 465 TYR E 319 REMARK 465 LEU E 320 REMARK 465 THR E 321 REMARK 465 ARG E 322 REMARK 465 GLY E 323 REMARK 465 GLU E 324 REMARK 465 GLU E 325 REMARK 465 SER E 326 REMARK 465 SER E 327 REMARK 465 SER E 328 REMARK 465 ASP E 329 REMARK 465 THR E 330 REMARK 465 ASN E 331 REMARK 465 LYS E 332 REMARK 465 SER E 333 REMARK 465 ALA E 334 REMARK 465 GLY E 335 REMARK 465 SER E 336 REMARK 465 SER E 337 REMARK 465 GLY E 338 REMARK 465 MET E 339 REMARK 465 ASP E 340 REMARK 465 TYR E 341 REMARK 465 LYS E 342 REMARK 465 ASP E 343 REMARK 465 ASP E 344 REMARK 465 ASP E 345 REMARK 465 ASP E 346 REMARK 465 LYS E 347 REMARK 465 MET F 8 REMARK 465 ASP F 9 REMARK 465 MET F 10 REMARK 465 ARG F 11 REMARK 465 VAL F 12 REMARK 465 PRO F 13 REMARK 465 ALA F 14 REMARK 465 GLN F 15 REMARK 465 LEU F 16 REMARK 465 LEU F 17 REMARK 465 GLY F 18 REMARK 465 LEU F 19 REMARK 465 LEU F 20 REMARK 465 LEU F 21 REMARK 465 LEU F 22 REMARK 465 TRP F 23 REMARK 465 LEU F 24 REMARK 465 SER F 25 REMARK 465 GLY F 26 REMARK 465 ALA F 27 REMARK 465 ARG F 28 REMARK 465 CYS F 29 REMARK 465 PHE F 242 REMARK 465 ARG F 243 REMARK 465 SER F 244 REMARK 465 ALA F 245 REMARK 465 GLN F 246 REMARK 465 ARG F 247 REMARK 465 TRP F 248 REMARK 465 ILE F 249 REMARK 465 ALA F 250 REMARK 465 ALA F 251 REMARK 465 LEU F 252 REMARK 465 ALA F 253 REMARK 465 GLY F 254 REMARK 465 THR F 255 REMARK 465 LEU F 256 REMARK 465 PRO F 257 REMARK 465 VAL F 258 REMARK 465 LEU F 259 REMARK 465 LEU F 260 REMARK 465 LEU F 261 REMARK 465 LEU F 262 REMARK 465 LEU F 263 REMARK 465 GLY F 264 REMARK 465 GLY F 265 REMARK 465 ALA F 266 REMARK 465 GLY F 267 REMARK 465 TYR F 268 REMARK 465 PHE F 269 REMARK 465 LEU F 270 REMARK 465 TRP F 271 REMARK 465 GLN F 272 REMARK 465 GLN F 273 REMARK 465 GLN F 274 REMARK 465 GLU F 275 REMARK 465 GLU F 276 REMARK 465 LYS F 277 REMARK 465 LYS F 278 REMARK 465 THR F 279 REMARK 465 GLN F 280 REMARK 465 PHE F 281 REMARK 465 ARG F 282 REMARK 465 LYS F 283 REMARK 465 LYS F 284 REMARK 465 LYS F 285 REMARK 465 ARG F 286 REMARK 465 GLU F 287 REMARK 465 GLN F 288 REMARK 465 GLU F 289 REMARK 465 LEU F 290 REMARK 465 ARG F 291 REMARK 465 GLU F 292 REMARK 465 MET F 293 REMARK 465 ALA F 294 REMARK 465 TRP F 295 REMARK 465 SER F 296 REMARK 465 THR F 297 REMARK 465 MET F 298 REMARK 465 LYS F 299 REMARK 465 GLN F 300 REMARK 465 GLU F 301 REMARK 465 GLN F 302 REMARK 465 SER F 303 REMARK 465 THR F 304 REMARK 465 ARG F 305 REMARK 465 VAL F 306 REMARK 465 LYS F 307 REMARK 465 LEU F 308 REMARK 465 LEU F 309 REMARK 465 GLU F 310 REMARK 465 GLU F 311 REMARK 465 LEU F 312 REMARK 465 ARG F 313 REMARK 465 TRP F 314 REMARK 465 ARG F 315 REMARK 465 SER F 316 REMARK 465 ILE F 317 REMARK 465 GLN F 318 REMARK 465 TYR F 319 REMARK 465 ALA F 320 REMARK 465 SER F 321 REMARK 465 ARG F 322 REMARK 465 GLY F 323 REMARK 465 GLU F 324 REMARK 465 ARG F 325 REMARK 465 HIS F 326 REMARK 465 SER F 327 REMARK 465 ALA F 328 REMARK 465 TYR F 329 REMARK 465 ASN F 330 REMARK 465 GLU F 331 REMARK 465 TRP F 332 REMARK 465 LYS F 333 REMARK 465 LYS F 334 REMARK 465 ALA F 335 REMARK 465 LEU F 336 REMARK 465 PHE F 337 REMARK 465 LYS F 338 REMARK 465 PRO F 339 REMARK 465 ALA F 340 REMARK 465 ASP F 341 REMARK 465 VAL F 342 REMARK 465 ILE F 343 REMARK 465 LEU F 344 REMARK 465 ASP F 345 REMARK 465 PRO F 346 REMARK 465 LYS F 347 REMARK 465 THR F 348 REMARK 465 ALA F 349 REMARK 465 ASN F 350 REMARK 465 PRO F 351 REMARK 465 ILE F 352 REMARK 465 LEU F 353 REMARK 465 LEU F 354 REMARK 465 VAL F 355 REMARK 465 SER F 356 REMARK 465 GLU F 357 REMARK 465 ASP F 358 REMARK 465 GLN F 359 REMARK 465 ARG F 360 REMARK 465 SER F 361 REMARK 465 VAL F 362 REMARK 465 GLN F 363 REMARK 465 ARG F 364 REMARK 465 ALA F 365 REMARK 465 LYS F 366 REMARK 465 GLU F 367 REMARK 465 PRO F 368 REMARK 465 GLN F 369 REMARK 465 ASP F 370 REMARK 465 LEU F 371 REMARK 465 PRO F 372 REMARK 465 ASP F 373 REMARK 465 ASN F 374 REMARK 465 PRO F 375 REMARK 465 GLU F 376 REMARK 465 ARG F 377 REMARK 465 PHE F 378 REMARK 465 ASN F 379 REMARK 465 TRP F 380 REMARK 465 HIS F 381 REMARK 465 TYR F 382 REMARK 465 CYS F 383 REMARK 465 VAL F 384 REMARK 465 LEU F 385 REMARK 465 GLY F 386 REMARK 465 CYS F 387 REMARK 465 GLU F 388 REMARK 465 SER F 389 REMARK 465 PHE F 390 REMARK 465 ILE F 391 REMARK 465 SER F 392 REMARK 465 GLY F 393 REMARK 465 ARG F 394 REMARK 465 HIS F 395 REMARK 465 TYR F 396 REMARK 465 TRP F 397 REMARK 465 GLU F 398 REMARK 465 VAL F 399 REMARK 465 GLU F 400 REMARK 465 VAL F 401 REMARK 465 GLY F 402 REMARK 465 ASP F 403 REMARK 465 ARG F 404 REMARK 465 LYS F 405 REMARK 465 GLU F 406 REMARK 465 TRP F 407 REMARK 465 HIS F 408 REMARK 465 ILE F 409 REMARK 465 GLY F 410 REMARK 465 VAL F 411 REMARK 465 CYS F 412 REMARK 465 SER F 413 REMARK 465 LYS F 414 REMARK 465 ASN F 415 REMARK 465 VAL F 416 REMARK 465 GLN F 417 REMARK 465 ARG F 418 REMARK 465 LYS F 419 REMARK 465 GLY F 420 REMARK 465 TRP F 421 REMARK 465 VAL F 422 REMARK 465 LYS F 423 REMARK 465 MET F 424 REMARK 465 THR F 425 REMARK 465 PRO F 426 REMARK 465 GLU F 427 REMARK 465 ASN F 428 REMARK 465 GLY F 429 REMARK 465 PHE F 430 REMARK 465 TRP F 431 REMARK 465 THR F 432 REMARK 465 MET F 433 REMARK 465 GLY F 434 REMARK 465 LEU F 435 REMARK 465 THR F 436 REMARK 465 ASP F 437 REMARK 465 GLY F 438 REMARK 465 ASN F 439 REMARK 465 LYS F 440 REMARK 465 TYR F 441 REMARK 465 ARG F 442 REMARK 465 THR F 443 REMARK 465 LEU F 444 REMARK 465 THR F 445 REMARK 465 GLU F 446 REMARK 465 PRO F 447 REMARK 465 ARG F 448 REMARK 465 THR F 449 REMARK 465 ASN F 450 REMARK 465 LEU F 451 REMARK 465 LYS F 452 REMARK 465 LEU F 453 REMARK 465 PRO F 454 REMARK 465 LYS F 455 REMARK 465 PRO F 456 REMARK 465 PRO F 457 REMARK 465 LYS F 458 REMARK 465 LYS F 459 REMARK 465 VAL F 460 REMARK 465 GLY F 461 REMARK 465 VAL F 462 REMARK 465 PHE F 463 REMARK 465 LEU F 464 REMARK 465 ASP F 465 REMARK 465 TYR F 466 REMARK 465 GLU F 467 REMARK 465 THR F 468 REMARK 465 GLY F 469 REMARK 465 ASP F 470 REMARK 465 ILE F 471 REMARK 465 SER F 472 REMARK 465 PHE F 473 REMARK 465 TYR F 474 REMARK 465 ASN F 475 REMARK 465 ALA F 476 REMARK 465 VAL F 477 REMARK 465 ASP F 478 REMARK 465 GLY F 479 REMARK 465 SER F 480 REMARK 465 HIS F 481 REMARK 465 ILE F 482 REMARK 465 HIS F 483 REMARK 465 THR F 484 REMARK 465 PHE F 485 REMARK 465 LEU F 486 REMARK 465 ASP F 487 REMARK 465 VAL F 488 REMARK 465 SER F 489 REMARK 465 PHE F 490 REMARK 465 SER F 491 REMARK 465 GLU F 492 REMARK 465 ALA F 493 REMARK 465 LEU F 494 REMARK 465 TYR F 495 REMARK 465 PRO F 496 REMARK 465 VAL F 497 REMARK 465 PHE F 498 REMARK 465 ARG F 499 REMARK 465 ILE F 500 REMARK 465 LEU F 501 REMARK 465 THR F 502 REMARK 465 LEU F 503 REMARK 465 GLU F 504 REMARK 465 PRO F 505 REMARK 465 THR F 506 REMARK 465 ALA F 507 REMARK 465 LEU F 508 REMARK 465 THR F 509 REMARK 465 ILE F 510 REMARK 465 CYS F 511 REMARK 465 PRO F 512 REMARK 465 ALA F 513 REMARK 465 GLY F 514 REMARK 465 SER F 515 REMARK 465 SER F 516 REMARK 465 GLY F 517 REMARK 465 ALA F 518 REMARK 465 TRP F 519 REMARK 465 SER F 520 REMARK 465 HIS F 521 REMARK 465 PRO F 522 REMARK 465 GLN F 523 REMARK 465 PHE F 524 REMARK 465 GLU F 525 REMARK 465 LYS F 526 REMARK 465 GLY F 527 REMARK 465 GLY F 528 REMARK 465 GLY F 529 REMARK 465 SER F 530 REMARK 465 GLY F 531 REMARK 465 GLY F 532 REMARK 465 GLY F 533 REMARK 465 SER F 534 REMARK 465 GLY F 535 REMARK 465 GLY F 536 REMARK 465 SER F 537 REMARK 465 ALA F 538 REMARK 465 TRP F 539 REMARK 465 SER F 540 REMARK 465 HIS F 541 REMARK 465 PRO F 542 REMARK 465 GLN F 543 REMARK 465 PHE F 544 REMARK 465 GLU F 545 REMARK 465 LYS F 546 REMARK 465 GLU H -17 REMARK 465 PHE H -16 REMARK 465 GLY H -15 REMARK 465 LEU H -14 REMARK 465 SER H -13 REMARK 465 TRP H -12 REMARK 465 LEU H -11 REMARK 465 PHE H -10 REMARK 465 LEU H -9 REMARK 465 VAL H -8 REMARK 465 ALA H -7 REMARK 465 ILE H -6 REMARK 465 LEU H -5 REMARK 465 LYS H -4 REMARK 465 GLY H -3 REMARK 465 VAL H -2 REMARK 465 GLN H -1 REMARK 465 CYS H 0 REMARK 465 GLY H 226 REMARK 465 GLY H 227 REMARK 465 SER H 228 REMARK 465 HIS H 229 REMARK 465 HIS H 230 REMARK 465 HIS H 231 REMARK 465 HIS H 232 REMARK 465 HIS H 233 REMARK 465 HIS H 234 REMARK 465 HIS H 235 REMARK 465 HIS H 236 REMARK 465 MET L -21 REMARK 465 ASP L -20 REMARK 465 MET L -19 REMARK 465 ARG L -18 REMARK 465 VAL L -17 REMARK 465 PRO L -16 REMARK 465 ALA L -15 REMARK 465 GLN L -14 REMARK 465 LEU L -13 REMARK 465 LEU L -12 REMARK 465 GLY L -11 REMARK 465 LEU L -10 REMARK 465 LEU L -9 REMARK 465 LEU L -8 REMARK 465 LEU L -7 REMARK 465 TRP L -6 REMARK 465 LEU L -5 REMARK 465 SER L -4 REMARK 465 GLY L -3 REMARK 465 ALA L -2 REMARK 465 ARG L -1 REMARK 465 CYS L 0 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PRO E 173 -174.77 -64.39 REMARK 500 PHE H 29 56.56 -93.39 REMARK 500 PRO H 53 46.33 -82.91 REMARK 500 ALA L 51 -5.17 74.83 REMARK 500 PRO L 141 -168.35 -72.47 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 TYR F 172 PRO F 173 -32.35 REMARK 500 PHE H 155 PRO H 156 -30.32 REMARK 500 GLU H 157 PRO H 158 -30.30 REMARK 500 SER L 7 PRO L 8 30.99 REMARK 500 TYR L 94 PRO L 95 -30.35 REMARK 500 GLU L 161 SER L 162 -149.46 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-62608 RELATED DB: EMDB REMARK 900 CRYO-EM STRUCTURE OF THE ICT01-BTN3A1/BTN3A2 COMPLEX DBREF 9KWE E 30 334 UNP P78410 BT3A2_HUMAN 30 334 DBREF 9KWE F 30 513 UNP O00481 BT3A1_HUMAN 30 513 DBREF 9KWE H -17 236 PDB 9KWE 9KWE -17 236 DBREF 9KWE L -21 214 PDB 9KWE 9KWE -21 214 SEQADV 9KWE MET E 8 UNP P78410 INITIATING METHIONINE SEQADV 9KWE ASP E 9 UNP P78410 EXPRESSION TAG SEQADV 9KWE MET E 10 UNP P78410 EXPRESSION TAG SEQADV 9KWE ARG E 11 UNP P78410 EXPRESSION TAG SEQADV 9KWE VAL E 12 UNP P78410 EXPRESSION TAG SEQADV 9KWE PRO E 13 UNP P78410 EXPRESSION TAG SEQADV 9KWE ALA E 14 UNP P78410 EXPRESSION TAG SEQADV 9KWE GLN E 15 UNP P78410 EXPRESSION TAG SEQADV 9KWE LEU E 16 UNP P78410 EXPRESSION TAG SEQADV 9KWE LEU E 17 UNP P78410 EXPRESSION TAG SEQADV 9KWE GLY E 18 UNP P78410 EXPRESSION TAG SEQADV 9KWE LEU E 19 UNP P78410 EXPRESSION TAG SEQADV 9KWE LEU E 20 UNP P78410 EXPRESSION TAG SEQADV 9KWE LEU E 21 UNP P78410 EXPRESSION TAG SEQADV 9KWE LEU E 22 UNP P78410 EXPRESSION TAG SEQADV 9KWE TRP E 23 UNP P78410 EXPRESSION TAG SEQADV 9KWE LEU E 24 UNP P78410 EXPRESSION TAG SEQADV 9KWE SER E 25 UNP P78410 EXPRESSION TAG SEQADV 9KWE GLY E 26 UNP P78410 EXPRESSION TAG SEQADV 9KWE ALA E 27 UNP P78410 EXPRESSION TAG SEQADV 9KWE ARG E 28 UNP P78410 EXPRESSION TAG SEQADV 9KWE CYS E 29 UNP P78410 EXPRESSION TAG SEQADV 9KWE GLY E 335 UNP P78410 EXPRESSION TAG SEQADV 9KWE SER E 336 UNP P78410 EXPRESSION TAG SEQADV 9KWE SER E 337 UNP P78410 EXPRESSION TAG SEQADV 9KWE GLY E 338 UNP P78410 EXPRESSION TAG SEQADV 9KWE MET E 339 UNP P78410 EXPRESSION TAG SEQADV 9KWE ASP E 340 UNP P78410 EXPRESSION TAG SEQADV 9KWE TYR E 341 UNP P78410 EXPRESSION TAG SEQADV 9KWE LYS E 342 UNP P78410 EXPRESSION TAG SEQADV 9KWE ASP E 343 UNP P78410 EXPRESSION TAG SEQADV 9KWE ASP E 344 UNP P78410 EXPRESSION TAG SEQADV 9KWE ASP E 345 UNP P78410 EXPRESSION TAG SEQADV 9KWE ASP E 346 UNP P78410 EXPRESSION TAG SEQADV 9KWE LYS E 347 UNP P78410 EXPRESSION TAG SEQADV 9KWE MET F 8 UNP O00481 INITIATING METHIONINE SEQADV 9KWE ASP F 9 UNP O00481 EXPRESSION TAG SEQADV 9KWE MET F 10 UNP O00481 EXPRESSION TAG SEQADV 9KWE ARG F 11 UNP O00481 EXPRESSION TAG SEQADV 9KWE VAL F 12 UNP O00481 EXPRESSION TAG SEQADV 9KWE PRO F 13 UNP O00481 EXPRESSION TAG SEQADV 9KWE ALA F 14 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLN F 15 UNP O00481 EXPRESSION TAG SEQADV 9KWE LEU F 16 UNP O00481 EXPRESSION TAG SEQADV 9KWE LEU F 17 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 18 UNP O00481 EXPRESSION TAG SEQADV 9KWE LEU F 19 UNP O00481 EXPRESSION TAG SEQADV 9KWE LEU F 20 UNP O00481 EXPRESSION TAG SEQADV 9KWE LEU F 21 UNP O00481 EXPRESSION TAG SEQADV 9KWE LEU F 22 UNP O00481 EXPRESSION TAG SEQADV 9KWE TRP F 23 UNP O00481 EXPRESSION TAG SEQADV 9KWE LEU F 24 UNP O00481 EXPRESSION TAG SEQADV 9KWE SER F 25 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 26 UNP O00481 EXPRESSION TAG SEQADV 9KWE ALA F 27 UNP O00481 EXPRESSION TAG SEQADV 9KWE ARG F 28 UNP O00481 EXPRESSION TAG SEQADV 9KWE CYS F 29 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 514 UNP O00481 EXPRESSION TAG SEQADV 9KWE SER F 515 UNP O00481 EXPRESSION TAG SEQADV 9KWE SER F 516 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 517 UNP O00481 EXPRESSION TAG SEQADV 9KWE ALA F 518 UNP O00481 EXPRESSION TAG SEQADV 9KWE TRP F 519 UNP O00481 EXPRESSION TAG SEQADV 9KWE SER F 520 UNP O00481 EXPRESSION TAG SEQADV 9KWE HIS F 521 UNP O00481 EXPRESSION TAG SEQADV 9KWE PRO F 522 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLN F 523 UNP O00481 EXPRESSION TAG SEQADV 9KWE PHE F 524 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLU F 525 UNP O00481 EXPRESSION TAG SEQADV 9KWE LYS F 526 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 527 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 528 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 529 UNP O00481 EXPRESSION TAG SEQADV 9KWE SER F 530 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 531 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 532 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 533 UNP O00481 EXPRESSION TAG SEQADV 9KWE SER F 534 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 535 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLY F 536 UNP O00481 EXPRESSION TAG SEQADV 9KWE SER F 537 UNP O00481 EXPRESSION TAG SEQADV 9KWE ALA F 538 UNP O00481 EXPRESSION TAG SEQADV 9KWE TRP F 539 UNP O00481 EXPRESSION TAG SEQADV 9KWE SER F 540 UNP O00481 EXPRESSION TAG SEQADV 9KWE HIS F 541 UNP O00481 EXPRESSION TAG SEQADV 9KWE PRO F 542 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLN F 543 UNP O00481 EXPRESSION TAG SEQADV 9KWE PHE F 544 UNP O00481 EXPRESSION TAG SEQADV 9KWE GLU F 545 UNP O00481 EXPRESSION TAG SEQADV 9KWE LYS F 546 UNP O00481 EXPRESSION TAG SEQRES 1 E 340 MET ASP MET ARG VAL PRO ALA GLN LEU LEU GLY LEU LEU SEQRES 2 E 340 LEU LEU TRP LEU SER GLY ALA ARG CYS GLN PHE SER VAL SEQRES 3 E 340 LEU GLY PRO SER GLY PRO ILE LEU ALA MET VAL GLY GLU SEQRES 4 E 340 ASP ALA ASP LEU PRO CYS HIS LEU PHE PRO THR MET SER SEQRES 5 E 340 ALA GLU THR MET GLU LEU LYS TRP VAL SER SER SER LEU SEQRES 6 E 340 ARG GLN VAL VAL ASN VAL TYR ALA ASP GLY LYS GLU VAL SEQRES 7 E 340 GLU ASP ARG GLN SER ALA PRO TYR ARG GLY ARG THR SER SEQRES 8 E 340 ILE LEU ARG ASP GLY ILE THR ALA GLY LYS ALA ALA LEU SEQRES 9 E 340 ARG ILE HIS ASN VAL THR ALA SER ASP SER GLY LYS TYR SEQRES 10 E 340 LEU CYS TYR PHE GLN ASP GLY ASP PHE TYR GLU LYS ALA SEQRES 11 E 340 LEU VAL GLU LEU LYS VAL ALA ALA LEU GLY SER ASN LEU SEQRES 12 E 340 HIS VAL GLU VAL LYS GLY TYR GLU ASP GLY GLY ILE HIS SEQRES 13 E 340 LEU GLU CYS ARG SER THR GLY TRP TYR PRO GLN PRO GLN SEQRES 14 E 340 ILE GLN TRP SER ASN ALA LYS GLY GLU ASN ILE PRO ALA SEQRES 15 E 340 VAL GLU ALA PRO VAL VAL ALA ASP GLY VAL GLY LEU TYR SEQRES 16 E 340 GLU VAL ALA ALA SER VAL ILE MET ARG GLY GLY SER GLY SEQRES 17 E 340 GLU GLY VAL SER CYS ILE ILE ARG ASN SER LEU LEU GLY SEQRES 18 E 340 LEU GLU LYS THR ALA SER ILE SER ILE ALA ASP PRO PHE SEQRES 19 E 340 PHE ARG SER ALA GLN PRO TRP ILE ALA ALA LEU ALA GLY SEQRES 20 E 340 THR LEU PRO ILE LEU LEU LEU LEU LEU ALA GLY ALA SER SEQRES 21 E 340 TYR PHE LEU TRP ARG GLN GLN LYS GLU ILE THR ALA LEU SEQRES 22 E 340 SER SER GLU ILE GLU SER GLU GLN GLU MET LYS GLU MET SEQRES 23 E 340 GLY TYR ALA ALA THR GLU ARG GLU ILE SER LEU ARG GLU SEQRES 24 E 340 SER LEU GLN GLU GLU LEU LYS ARG LYS LYS ILE GLN TYR SEQRES 25 E 340 LEU THR ARG GLY GLU GLU SER SER SER ASP THR ASN LYS SEQRES 26 E 340 SER ALA GLY SER SER GLY MET ASP TYR LYS ASP ASP ASP SEQRES 27 E 340 ASP LYS SEQRES 1 F 539 MET ASP MET ARG VAL PRO ALA GLN LEU LEU GLY LEU LEU SEQRES 2 F 539 LEU LEU TRP LEU SER GLY ALA ARG CYS GLN PHE SER VAL SEQRES 3 F 539 LEU GLY PRO SER GLY PRO ILE LEU ALA MET VAL GLY GLU SEQRES 4 F 539 ASP ALA ASP LEU PRO CYS HIS LEU PHE PRO THR MET SER SEQRES 5 F 539 ALA GLU THR MET GLU LEU LYS TRP VAL SER SER SER LEU SEQRES 6 F 539 ARG GLN VAL VAL ASN VAL TYR ALA ASP GLY LYS GLU VAL SEQRES 7 F 539 GLU ASP ARG GLN SER ALA PRO TYR ARG GLY ARG THR SER SEQRES 8 F 539 ILE LEU ARG ASP GLY ILE THR ALA GLY LYS ALA ALA LEU SEQRES 9 F 539 ARG ILE HIS ASN VAL THR ALA SER ASP SER GLY LYS TYR SEQRES 10 F 539 LEU CYS TYR PHE GLN ASP GLY ASP PHE TYR GLU LYS ALA SEQRES 11 F 539 LEU VAL GLU LEU LYS VAL ALA ALA LEU GLY SER ASP LEU SEQRES 12 F 539 HIS VAL ASP VAL LYS GLY TYR LYS ASP GLY GLY ILE HIS SEQRES 13 F 539 LEU GLU CYS ARG SER THR GLY TRP TYR PRO GLN PRO GLN SEQRES 14 F 539 ILE GLN TRP SER ASN ASN LYS GLY GLU ASN ILE PRO THR SEQRES 15 F 539 VAL GLU ALA PRO VAL VAL ALA ASP GLY VAL GLY LEU TYR SEQRES 16 F 539 ALA VAL ALA ALA SER VAL ILE MET ARG GLY SER SER GLY SEQRES 17 F 539 GLU GLY VAL SER CYS THR ILE ARG SER SER LEU LEU GLY SEQRES 18 F 539 LEU GLU LYS THR ALA SER ILE SER ILE ALA ASP PRO PHE SEQRES 19 F 539 PHE ARG SER ALA GLN ARG TRP ILE ALA ALA LEU ALA GLY SEQRES 20 F 539 THR LEU PRO VAL LEU LEU LEU LEU LEU GLY GLY ALA GLY SEQRES 21 F 539 TYR PHE LEU TRP GLN GLN GLN GLU GLU LYS LYS THR GLN SEQRES 22 F 539 PHE ARG LYS LYS LYS ARG GLU GLN GLU LEU ARG GLU MET SEQRES 23 F 539 ALA TRP SER THR MET LYS GLN GLU GLN SER THR ARG VAL SEQRES 24 F 539 LYS LEU LEU GLU GLU LEU ARG TRP ARG SER ILE GLN TYR SEQRES 25 F 539 ALA SER ARG GLY GLU ARG HIS SER ALA TYR ASN GLU TRP SEQRES 26 F 539 LYS LYS ALA LEU PHE LYS PRO ALA ASP VAL ILE LEU ASP SEQRES 27 F 539 PRO LYS THR ALA ASN PRO ILE LEU LEU VAL SER GLU ASP SEQRES 28 F 539 GLN ARG SER VAL GLN ARG ALA LYS GLU PRO GLN ASP LEU SEQRES 29 F 539 PRO ASP ASN PRO GLU ARG PHE ASN TRP HIS TYR CYS VAL SEQRES 30 F 539 LEU GLY CYS GLU SER PHE ILE SER GLY ARG HIS TYR TRP SEQRES 31 F 539 GLU VAL GLU VAL GLY ASP ARG LYS GLU TRP HIS ILE GLY SEQRES 32 F 539 VAL CYS SER LYS ASN VAL GLN ARG LYS GLY TRP VAL LYS SEQRES 33 F 539 MET THR PRO GLU ASN GLY PHE TRP THR MET GLY LEU THR SEQRES 34 F 539 ASP GLY ASN LYS TYR ARG THR LEU THR GLU PRO ARG THR SEQRES 35 F 539 ASN LEU LYS LEU PRO LYS PRO PRO LYS LYS VAL GLY VAL SEQRES 36 F 539 PHE LEU ASP TYR GLU THR GLY ASP ILE SER PHE TYR ASN SEQRES 37 F 539 ALA VAL ASP GLY SER HIS ILE HIS THR PHE LEU ASP VAL SEQRES 38 F 539 SER PHE SER GLU ALA LEU TYR PRO VAL PHE ARG ILE LEU SEQRES 39 F 539 THR LEU GLU PRO THR ALA LEU THR ILE CYS PRO ALA GLY SEQRES 40 F 539 SER SER GLY ALA TRP SER HIS PRO GLN PHE GLU LYS GLY SEQRES 41 F 539 GLY GLY SER GLY GLY GLY SER GLY GLY SER ALA TRP SER SEQRES 42 F 539 HIS PRO GLN PHE GLU LYS SEQRES 1 H 254 GLU PHE GLY LEU SER TRP LEU PHE LEU VAL ALA ILE LEU SEQRES 2 H 254 LYS GLY VAL GLN CYS GLN VAL GLN LEU VAL GLN SER GLY SEQRES 3 H 254 ALA GLU VAL LYS LYS PRO GLY ALA SER VAL LYS LEU SER SEQRES 4 H 254 CYS LYS ALA SER GLY TYR ILE PHE THR ARG TYR TYR MET SEQRES 5 H 254 TYR TRP VAL LYS GLN ARG PRO GLY GLN GLY LEU GLU TRP SEQRES 6 H 254 ILE GLY GLU ILE ASN PRO ASN ASN GLY GLY THR LYS PHE SEQRES 7 H 254 ASN GLU LYS PHE LYS ASN ARG ALA THR LEU THR VAL ASP SEQRES 8 H 254 LYS SER ILE SER THR ALA TYR MET GLU LEU SER ARG LEU SEQRES 9 H 254 ARG SER ASP ASP THR ALA VAL TYR TYR CYS SER ARG GLU SEQRES 10 H 254 ASP ASP TYR ASP GLY THR PRO PHE ALA MET ASP TYR TRP SEQRES 11 H 254 GLY GLN GLY THR LEU VAL THR VAL SER SER ALA SER THR SEQRES 12 H 254 LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SER SER LYS SEQRES 13 H 254 SER THR SER GLY GLY THR ALA ALA LEU GLY CYS LEU VAL SEQRES 14 H 254 LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SER TRP ASN SEQRES 15 H 254 SER GLY ALA LEU THR SER GLY VAL HIS THR PHE PRO ALA SEQRES 16 H 254 VAL LEU GLN SER SER GLY LEU TYR SER LEU SER SER VAL SEQRES 17 H 254 VAL THR VAL PRO SER SER SER LEU GLY THR GLN THR TYR SEQRES 18 H 254 ILE CYS ASN VAL ASN HIS LYS PRO SER ASN THR LYS VAL SEQRES 19 H 254 ASP LYS LYS VAL GLU PRO LYS SER CYS GLY GLY SER HIS SEQRES 20 H 254 HIS HIS HIS HIS HIS HIS HIS SEQRES 1 L 236 MET ASP MET ARG VAL PRO ALA GLN LEU LEU GLY LEU LEU SEQRES 2 L 236 LEU LEU TRP LEU SER GLY ALA ARG CYS ASP ILE GLN MET SEQRES 3 L 236 THR GLN SER PRO SER SER LEU SER ALA SER VAL GLY ASP SEQRES 4 L 236 ARG VAL THR ILE THR CYS HIS ALA SER GLN ASN ILE ASN SEQRES 5 L 236 VAL TRP LEU SER TRP TYR GLN GLN LYS PRO GLY LYS ALA SEQRES 6 L 236 PRO LYS LEU LEU ILE TYR LYS ALA SER ASN LEU HIS THR SEQRES 7 L 236 GLY VAL PRO SER ARG PHE SER GLY SER GLY SER GLY THR SEQRES 8 L 236 ASP PHE THR PHE THR ILE SER SER LEU GLN PRO GLU ASP SEQRES 9 L 236 ILE ALA THR TYR TYR CYS GLN GLN GLY GLN THR TYR PRO SEQRES 10 L 236 TYR THR PHE GLY GLN GLY THR LYS LEU GLU ILE LYS ARG SEQRES 11 L 236 THR VAL ALA ALA PRO SER VAL PHE ILE PHE PRO PRO SER SEQRES 12 L 236 ASP GLU GLN LEU LYS SER GLY THR ALA SER VAL VAL CYS SEQRES 13 L 236 LEU LEU ASN ASN PHE TYR PRO ARG GLU ALA LYS VAL GLN SEQRES 14 L 236 TRP LYS VAL ASP ASN ALA LEU GLN SER GLY ASN SER GLN SEQRES 15 L 236 GLU SER VAL THR GLU GLN ASP SER LYS ASP SER THR TYR SEQRES 16 L 236 SER LEU SER SER THR LEU THR LEU SER LYS ALA ASP TYR SEQRES 17 L 236 GLU LYS HIS LYS VAL TYR ALA CYS GLU VAL THR HIS GLN SEQRES 18 L 236 GLY LEU SER SER PRO VAL THR LYS SER PHE ASN ARG GLY SEQRES 19 L 236 GLU CYS HELIX 1 AA1 SER F 90 ARG F 94 5 5 HELIX 2 AA2 ILE F 104 GLY F 107 5 4 HELIX 3 AA3 THR F 117 SER F 121 5 5 HELIX 4 AA4 ASN H 61 LYS H 65 5 5 HELIX 5 AA5 ARG H 87 THR H 91 5 5 HELIX 6 AA6 SER H 165 ALA H 167 5 3 HELIX 7 AA7 SER L 121 SER L 127 1 7 SHEET 1 AA1 4 VAL E 33 LEU E 34 0 SHEET 2 AA1 4 PRO E 51 LEU E 54 -1 O HIS E 53 N LEU E 34 SHEET 3 AA1 4 LYS E 108 LEU E 111 -1 O ALA E 109 N CYS E 52 SHEET 4 AA1 4 ILE E 99 LEU E 100 -1 N LEU E 100 O ALA E 110 SHEET 1 AA2 5 LYS E 83 GLU E 84 0 SHEET 2 AA2 5 VAL E 75 ALA E 80 -1 N ALA E 80 O LYS E 83 SHEET 3 AA2 5 GLU E 64 SER E 69 -1 N TRP E 67 O ASN E 77 SHEET 4 AA2 5 GLY E 122 GLN E 129 -1 O GLN E 129 N GLU E 64 SHEET 5 AA2 5 TYR E 134 LYS E 136 -1 O GLU E 135 N PHE E 128 SHEET 1 AA3 5 LYS E 83 GLU E 84 0 SHEET 2 AA3 5 VAL E 75 ALA E 80 -1 N ALA E 80 O LYS E 83 SHEET 3 AA3 5 GLU E 64 SER E 69 -1 N TRP E 67 O ASN E 77 SHEET 4 AA3 5 GLY E 122 GLN E 129 -1 O GLN E 129 N GLU E 64 SHEET 5 AA3 5 VAL E 139 LEU E 141 -1 O VAL E 139 N TYR E 124 SHEET 1 AA4 7 ALA E 189 GLU E 191 0 SHEET 2 AA4 7 VAL E 204 ILE E 209 -1 O SER E 207 N VAL E 190 SHEET 3 AA4 7 ILE E 162 SER E 168 -1 N LEU E 164 O VAL E 208 SHEET 4 AA4 7 LEU E 150 TYR E 157 -1 N LYS E 155 O HIS E 163 SHEET 5 AA4 7 GLU F 230 ILE F 237 1 O SER F 234 N VAL E 152 SHEET 6 AA4 7 GLY F 217 ARG F 223 -1 N CYS F 220 O ALA F 233 SHEET 7 AA4 7 GLN F 176 ASN F 181 -1 N GLN F 176 O ARG F 223 SHEET 1 AA5 8 ASN E 186 ILE E 187 0 SHEET 2 AA5 8 GLN E 176 SER E 180 -1 N TRP E 179 O ILE E 187 SHEET 3 AA5 8 SER E 219 ARG E 223 -1 O ILE E 221 N GLN E 178 SHEET 4 AA5 8 GLU E 230 ILE E 237 -1 O LYS E 231 N ILE E 222 SHEET 5 AA5 8 LEU F 150 VAL F 154 1 O VAL F 154 N SER E 236 SHEET 6 AA5 8 ILE F 162 THR F 169 -1 O GLU F 165 N ASP F 153 SHEET 7 AA5 8 TYR F 202 MET F 210 -1 O ALA F 206 N CYS F 166 SHEET 8 AA5 8 VAL F 190 ALA F 196 -1 N VAL F 190 O SER F 207 SHEET 1 AA6 2 SER F 32 LEU F 34 0 SHEET 2 AA6 2 HIS F 53 PHE F 55 -1 O HIS F 53 N LEU F 34 SHEET 1 AA7 2 ALA F 42 MET F 43 0 SHEET 2 AA7 2 VAL F 143 ALA F 144 1 O ALA F 144 N ALA F 42 SHEET 1 AA8 3 ALA F 48 ASP F 49 0 SHEET 2 AA8 3 LYS F 108 ILE F 113 -1 O ILE F 113 N ALA F 48 SHEET 3 AA8 3 SER F 98 GLY F 103 -1 N SER F 98 O ARG F 112 SHEET 1 AA9 3 GLU F 64 LYS F 66 0 SHEET 2 AA9 3 GLY F 122 GLN F 129 -1 O GLN F 129 N GLU F 64 SHEET 3 AA9 3 LYS F 136 LEU F 141 -1 O ALA F 137 N CYS F 126 SHEET 1 AB1 4 GLN H 3 GLN H 6 0 SHEET 2 AB1 4 SER H 17 SER H 25 -1 O LYS H 23 N VAL H 5 SHEET 3 AB1 4 THR H 78 SER H 84 -1 O ALA H 79 N CYS H 22 SHEET 4 AB1 4 LEU H 70 THR H 71 -1 N THR H 71 O TYR H 80 SHEET 1 AB2 5 GLU H 10 LYS H 12 0 SHEET 2 AB2 5 THR H 116 VAL H 120 1 O THR H 119 N GLU H 10 SHEET 3 AB2 5 ALA H 92 ARG H 98 -1 N ALA H 92 O VAL H 118 SHEET 4 AB2 5 MET H 34 GLN H 39 -1 N VAL H 37 O TYR H 95 SHEET 5 AB2 5 LEU H 45 ILE H 51 -1 O ILE H 48 N TRP H 36 SHEET 1 AB3 4 PHE H 131 LEU H 133 0 SHEET 2 AB3 4 ALA H 145 TYR H 154 -1 O LEU H 150 N PHE H 131 SHEET 3 AB3 4 SER H 189 VAL H 193 -1 O SER H 189 N CYS H 149 SHEET 4 AB3 4 HIS H 173 THR H 174 -1 N HIS H 173 O VAL H 190 SHEET 1 AB4 3 PHE H 131 LEU H 133 0 SHEET 2 AB4 3 ALA H 145 TYR H 154 -1 O LEU H 150 N PHE H 131 SHEET 3 AB4 3 TYR H 185 LEU H 187 -1 O TYR H 185 N TYR H 154 SHEET 1 AB5 2 SER H 162 TRP H 163 0 SHEET 2 AB5 2 CYS H 205 ASN H 206 -1 O ASN H 206 N SER H 162 SHEET 1 AB6 4 THR L 5 SER L 7 0 SHEET 2 AB6 4 VAL L 19 HIS L 24 -1 O THR L 22 N SER L 7 SHEET 3 AB6 4 ASP L 70 ILE L 75 -1 O PHE L 73 N ILE L 21 SHEET 4 AB6 4 PHE L 62 SER L 65 -1 N SER L 65 O THR L 72 SHEET 1 AB7 4 ASN L 53 LEU L 54 0 SHEET 2 AB7 4 LYS L 45 TYR L 49 -1 N TYR L 49 O ASN L 53 SHEET 3 AB7 4 LEU L 33 GLN L 38 -1 N TRP L 35 O LEU L 47 SHEET 4 AB7 4 THR L 85 GLN L 90 -1 O THR L 85 N GLN L 38 SHEET 1 AB8 4 SER L 114 PHE L 118 0 SHEET 2 AB8 4 THR L 129 PHE L 139 -1 O VAL L 133 N PHE L 118 SHEET 3 AB8 4 TYR L 173 SER L 182 -1 O LEU L 175 N LEU L 136 SHEET 4 AB8 4 GLU L 161 THR L 164 -1 N SER L 162 O SER L 176 SHEET 1 AB9 4 ALA L 153 GLN L 155 0 SHEET 2 AB9 4 ALA L 144 VAL L 150 -1 N VAL L 150 O ALA L 153 SHEET 3 AB9 4 TYR L 192 HIS L 198 -1 O GLU L 195 N GLN L 147 SHEET 4 AB9 4 SER L 208 PHE L 209 -1 O PHE L 209 N TYR L 192 SSBOND 1 CYS E 52 CYS E 126 1555 1555 1.96 SSBOND 2 CYS E 166 CYS E 220 1555 1555 1.99 SSBOND 3 CYS F 52 CYS F 126 1555 1555 2.07 SSBOND 4 CYS H 22 CYS H 96 1555 1555 1.98 SSBOND 5 CYS H 149 CYS H 205 1555 1555 2.00 SSBOND 6 CYS H 225 CYS L 214 1555 1555 2.18 SSBOND 7 CYS L 23 CYS L 88 1555 1555 2.22 SSBOND 8 CYS L 134 CYS L 194 1555 1555 2.06 CISPEP 1 GLY E 131 ASP E 132 0 -29.59 CISPEP 2 TYR E 172 PRO E 173 0 -29.67 CISPEP 3 PHE F 55 PRO F 56 0 29.79 CISPEP 4 TYR L 140 PRO L 141 0 -29.67 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000