HEADER MEMBRANE PROTEIN 29-NOV-24 9HJK TITLE CRYO-EM STRUCTURE OF THE ARABIDOPSIS THALIANA CAT4 TRANSPORTER IN THE TITLE 2 OUTWARD-OPEN APO STATE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CATIONIC AMINO ACID TRANSPORTER 4, VACUOLAR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: SYBB5; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_COMMON: THALE CRESS; SOURCE 4 ORGANISM_TAXID: 3702; SOURCE 5 GENE: CAT4, AT3G03720, F20H23.25; SOURCE 6 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 4932; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BJ5460; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PDDGFP2-LEU2D; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 12 ORGANISM_TAXID: 32360; SOURCE 13 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 14 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS CATIONIC AMINO ACID TRANSPORTER, APC FOLD, LEUT FOLD, CHOLESTEROL, KEYWDS 2 OUTWARD-OPEN STATE, CATIONIC AMINO ACIDS, SLC7, MEMBRANE PROTEIN EXPDTA ELECTRON MICROSCOPY AUTHOR D.KOLOKOURIS,T.KATO,S.NEWSTEAD REVDAT 1 10-DEC-25 9HJK 0 JRNL AUTH D.KOLOKOURIS,S.NEWSTEAD JRNL TITL CRYO-EM STRUCTURE OF THE ARABIDOPSIS THALIANA CAT4 JRNL TITL 2 TRANSPORTER IN THE OUTWARD-OPEN STATE JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH D.LIEBSCHNER,P.V.AFONINE,M.L.BAKER,G.BUNKOCZI,V.B.CHEN, REMARK 1 AUTH 2 T.I.CROLL,B.HINTZE,L.W.HUNG,S.JAIN,A.J.MCCOY,N.W.MORIARTY, REMARK 1 AUTH 3 R.D.OEFFNER,B.K.POON,M.G.PRISANT,R.J.READ,J.S.RICHARDSON, REMARK 1 AUTH 4 D.C.RICHARDSON,M.D.SAMMITO,O.V.SOBOLEV,D.H.STOCKWELL, REMARK 1 AUTH 5 T.C.TERWILLIGER,A.G.URZHUMTSEV,L.L.VIDEAU,C.J.WILLIAMS, REMARK 1 AUTH 6 P.D.ADAMS REMARK 1 TITL MACROMOLECULAR STRUCTURE DETERMINATION USING X-RAYS, REMARK 1 TITL 2 NEUTRONS AND ELECTRONS: RECENT DEVELOPMENTS IN PHENIX REMARK 1 REF ACTA CRYSTALLOGR., SECT. D: V. 75 861 2019 REMARK 1 REF 2 BIOL. CRYSTALLOGR. REMARK 1 REFN ISSN 0907-4449 REMARK 1 PMID 31588918 REMARK 1 DOI 10.1107/S2059798319011471 REMARK 2 REMARK 2 RESOLUTION. 3.27 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : CRYOSPARC, RELION, PHENIX, CRYOSPARC REMARK 3 RECONSTRUCTION SCHEMA : NULL REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : NULL REMARK 3 REFINEMENT SPACE : REAL REMARK 3 REFINEMENT PROTOCOL : RIGID BODY FIT REMARK 3 REFINEMENT TARGET : CROSS-CORRELATION COEFFICIENT 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) : 3.270 REMARK 3 NUMBER OF PARTICLES : 642325 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 9HJK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 29-NOV-24. REMARK 100 THE DEPOSITION ID IS D_1292141462. 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 : COMPLEX OF ARABIDOPSIS THALIANA REMARK 245 CATIONIC AMINO ACID TRANSPORTER REMARK 245 4 WITH A SYNTHETIC NANOBODY AND REMARK 245 CHOLESTEROL REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : 3.40 REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 7.50 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 BIOQUANTUM (6K X REMARK 245 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 1000.00 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) : 5800.00 REMARK 245 ILLUMINATION MODE : FLOOD BEAM REMARK 245 NOMINAL MAGNIFICATION : 105000 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 VAL A 411 REMARK 465 PRO A 412 REMARK 465 LEU A 413 REMARK 465 SER A 414 REMARK 465 SER A 415 REMARK 465 SER A 416 REMARK 465 SER A 417 REMARK 465 GLN A 418 REMARK 465 THR A 419 REMARK 465 LEU A 420 REMARK 465 SER A 421 REMARK 465 ASP A 422 REMARK 465 THR A 423 REMARK 465 ASP A 424 REMARK 465 GLU A 425 REMARK 465 SER A 426 REMARK 465 ARG A 427 REMARK 465 ALA A 428 REMARK 465 GLU A 429 REMARK 465 THR A 430 REMARK 465 GLU A 431 REMARK 465 ASN A 432 REMARK 465 PHE A 433 REMARK 465 LEU A 434 REMARK 465 VAL A 435 REMARK 465 ASP A 436 REMARK 465 ALA A 437 REMARK 465 ILE A 438 REMARK 465 GLU A 439 REMARK 465 SER A 440 REMARK 465 SER A 441 REMARK 465 ASP A 442 REMARK 465 SER A 443 REMARK 465 PRO A 444 REMARK 465 LEU A 445 REMARK 465 LEU A 446 REMARK 465 GLY A 447 REMARK 465 ASN A 448 REMARK 465 GLU A 449 REMARK 465 THR A 450 REMARK 465 ALA A 451 REMARK 465 ARG A 452 REMARK 465 ASP A 453 REMARK 465 GLU A 454 REMARK 465 LYS A 455 REMARK 465 GLY B -3 REMARK 465 SER B -2 REMARK 465 SER B -1 REMARK 465 SER B 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 SER A 92 -141.50 56.90 REMARK 500 CYS A 100 -69.07 -94.87 REMARK 500 SER A 134 -169.92 -127.06 REMARK 500 PHE A 145 -4.32 72.48 REMARK 500 PRO A 152 48.77 -79.76 REMARK 500 THR A 294 73.97 52.48 REMARK 500 PHE A 532 78.20 -118.93 REMARK 500 SER A 578 136.84 -170.62 REMARK 500 LEU A 580 -2.51 72.61 REMARK 500 GLN B 39 113.81 -170.90 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-52217 RELATED DB: EMDB REMARK 900 CRYO-EM STRUCTURE OF THE ARABIDOPSIS THALIANA CAT4 TRANSPORTER IN REMARK 900 THE OUTWARD-OPEN APO STATE DBREF 9HJK A 21 582 UNP Q8W4K3 CAAT4_ARATH 21 582 DBREF 9HJK B -3 114 PDB 9HJK 9HJK -3 114 SEQRES 1 A 562 PRO HIS GLN LEU ALA LYS LYS LEU SER ALA VAL ASP LEU SEQRES 2 A 562 VAL ALA ILE GLY VAL GLY THR THR ILE GLY ALA GLY VAL SEQRES 3 A 562 TYR ILE LEU VAL GLY THR VAL ALA ARG GLU HIS THR GLY SEQRES 4 A 562 PRO ALA LEU ALA VAL SER PHE PHE ILE ALA GLY VAL ALA SEQRES 5 A 562 ALA ALA LEU SER ALA CYS CYS TYR ALA GLU LEU ALA SER SEQRES 6 A 562 ARG CYS PRO SER ALA GLY SER ALA TYR HIS TYR ALA TYR SEQRES 7 A 562 ILE CYS LEU GLY GLU GLY ILE ALA TRP LEU VAL GLY TRP SEQRES 8 A 562 ALA LEU VAL LEU ASP TYR THR ILE GLY GLY SER ALA ILE SEQRES 9 A 562 ALA ARG GLY ILE THR PRO ASN LEU ALA SER PHE PHE GLY SEQRES 10 A 562 GLY LEU ASP ASN LEU PRO VAL PHE LEU ALA ARG GLN THR SEQRES 11 A 562 ILE PRO GLY VAL GLY ILE VAL VAL ASP PRO CYS ALA ALA SEQRES 12 A 562 LEU LEU ILE MET ILE VAL THR ILE LEU LEU CYS PHE GLY SEQRES 13 A 562 ILE LYS GLU SER SER THR VAL GLN ALA ILE VAL THR SER SEQRES 14 A 562 VAL ASN VAL CYS THR LEU VAL PHE ILE ILE VAL VAL GLY SEQRES 15 A 562 GLY TYR LEU ALA CYS LYS THR GLY TRP VAL GLY TYR ASP SEQRES 16 A 562 LEU PRO SER GLY TYR PHE PRO PHE GLY LEU ASN GLY ILE SEQRES 17 A 562 LEU ALA GLY SER ALA VAL VAL PHE PHE SER TYR ILE GLY SEQRES 18 A 562 PHE ASP THR VAL THR SER THR ALA GLU GLU VAL LYS ASN SEQRES 19 A 562 PRO GLN ARG ASP LEU PRO LEU GLY ILE GLY ILE ALA LEU SEQRES 20 A 562 LEU ILE CYS CYS ILE LEU TYR MET LEU LEU SER VAL VAL SEQRES 21 A 562 ILE VAL GLY LEU VAL PRO TYR TYR SER LEU ASN PRO ASP SEQRES 22 A 562 THR PRO ILE SER SER ALA PHE GLY ASP SER GLY MET GLN SEQRES 23 A 562 TRP ALA ALA TYR ILE LEU THR THR GLY ALA ILE THR ALA SEQRES 24 A 562 LEU CYS ALA SER LEU LEU GLY SER LEU LEU ALA GLN PRO SEQRES 25 A 562 ARG ILE PHE MET ALA MET ALA ARG ASP GLY LEU LEU PRO SEQRES 26 A 562 ALA PHE PHE SER GLU ILE SER PRO ARG THR GLN VAL PRO SEQRES 27 A 562 VAL LYS SER THR ILE ALA ILE GLY VAL LEU ALA ALA ALA SEQRES 28 A 562 LEU ALA PHE PHE MET ASP VAL ALA GLN LEU SER GLU MET SEQRES 29 A 562 VAL SER VAL GLY THR LEU MET ALA PHE THR ALA VAL ALA SEQRES 30 A 562 VAL CYS VAL LEU VAL LEU ARG TYR VAL PRO PRO ASP GLY SEQRES 31 A 562 VAL PRO LEU SER SER SER SER GLN THR LEU SER ASP THR SEQRES 32 A 562 ASP GLU SER ARG ALA GLU THR GLU ASN PHE LEU VAL ASP SEQRES 33 A 562 ALA ILE GLU SER SER ASP SER PRO LEU LEU GLY ASN GLU SEQRES 34 A 562 THR ALA ARG ASP GLU LYS TYR PHE GLY LYS ARG ARG LYS SEQRES 35 A 562 ILE ALA ALA TRP SER ILE ALA LEU VAL CYS ILE GLY VAL SEQRES 36 A 562 LEU GLY LEU ALA SER ALA ALA SER ALA GLU ARG LEU PRO SEQRES 37 A 562 SER PHE PRO ARG PHE THR ILE CYS GLY VAL SER ALA VAL SEQRES 38 A 562 ILE LEU LEU GLY SER LEU ILE THR LEU GLY TYR ILE ASP SEQRES 39 A 562 GLU ASP GLU GLU ARG HIS ASN PHE GLY HIS LYS GLY GLY SEQRES 40 A 562 PHE LEU CYS PRO PHE VAL PRO TYR LEU PRO VAL LEU CYS SEQRES 41 A 562 ILE LEU ILE ASN THR TYR LEU ILE ILE ASN ILE GLY ALA SEQRES 42 A 562 GLY THR TRP ILE ARG VAL LEU ILE TRP LEU LEU ILE GLY SEQRES 43 A 562 SER MET ILE TYR ILE PHE TYR GLY ARG SER HIS SER LEU SEQRES 44 A 562 LEU ASN ASN SEQRES 1 B 118 GLY SER SER SER GLN VAL GLN LEU VAL GLU SER GLY GLY SEQRES 2 B 118 GLY LEU VAL GLN ALA GLY GLY SER LEU ARG LEU SER CYS SEQRES 3 B 118 ALA ALA SER GLY PHE PRO VAL ASN MET TYR TRP MET HIS SEQRES 4 B 118 TRP TYR ARG GLN ALA PRO GLY LYS GLU ARG GLU TRP VAL SEQRES 5 B 118 ALA ALA ILE GLN SER TYR GLY GLN TRP THR ALA TYR ALA SEQRES 6 B 118 ASP SER VAL LYS GLY ARG PHE THR ILE SER ARG ASP ASN SEQRES 7 B 118 ALA LYS ASN THR VAL TYR LEU GLN MET ASN SER LEU LYS SEQRES 8 B 118 PRO GLU ASP THR ALA VAL TYR TYR CYS ALA VAL GLY VAL SEQRES 9 B 118 GLY GLY TYR TYR LEU GLY GLN GLY THR GLN VAL THR VAL SEQRES 10 B 118 SER HET CLR A 601 28 HET AV0 B 201 69 HETNAM CLR CHOLESTEROL HETNAM AV0 LAURYL MALTOSE NEOPENTYL GLYCOL HETSYN AV0 2,2-DIDECYLPROPANE-1,3-BIS-B-D-MALTOPYRANOSIDE; 2- HETSYN 2 AV0 DECYL-2-{[(4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D- HETSYN 3 AV0 GLUCOPYRANOSYL)OXY]METHYL}DODECYL4-O-ALPHA-D- HETSYN 4 AV0 GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE FORMUL 3 CLR C27 H46 O FORMUL 4 AV0 C47 H88 O22 FORMUL 5 HOH *(H2 O) HELIX 1 AA1 SER A 29 VAL A 50 1 22 HELIX 2 AA2 THR A 52 HIS A 57 1 6 HELIX 3 AA3 THR A 58 CYS A 87 1 30 HELIX 4 AA4 SER A 92 CYS A 100 1 9 HELIX 5 AA5 GLY A 104 LEU A 132 1 29 HELIX 6 AA6 ALA A 163 PHE A 175 1 13 HELIX 7 AA7 GLY A 176 GLY A 210 1 35 HELIX 8 AA8 TRP A 211 ASP A 215 5 5 HELIX 9 AA9 PHE A 223 PHE A 236 1 14 HELIX 10 AB1 PHE A 237 TYR A 239 5 3 HELIX 11 AB2 GLY A 241 THR A 248 1 8 HELIX 12 AB3 ALA A 249 VAL A 252 5 4 HELIX 13 AB4 ASN A 254 ILE A 281 1 28 HELIX 14 AB5 LEU A 284 ASN A 291 1 8 HELIX 15 AB6 THR A 294 GLY A 301 1 8 HELIX 16 AB7 GLY A 304 LEU A 328 1 25 HELIX 17 AB8 ALA A 330 GLY A 342 1 13 HELIX 18 AB9 PRO A 345 SER A 349 5 5 HELIX 19 AC1 VAL A 359 MET A 376 1 18 HELIX 20 AC2 ASP A 377 SER A 382 1 6 HELIX 21 AC3 SER A 386 VAL A 406 1 21 HELIX 22 AC4 LYS A 459 SER A 483 1 25 HELIX 23 AC5 PRO A 488 ILE A 513 1 26 HELIX 24 AC6 ASP A 516 ASN A 521 5 6 HELIX 25 AC7 TYR A 535 ILE A 551 1 17 HELIX 26 AC8 GLY A 552 TYR A 573 1 22 HELIX 27 AC9 PRO B 28 TYR B 32 5 5 HELIX 28 AD1 LYS B 87 THR B 91 5 5 SHEET 1 AA1 4 VAL B 5 SER B 7 0 SHEET 2 AA1 4 LEU B 18 ALA B 23 -1 O ALA B 23 N VAL B 5 SHEET 3 AA1 4 THR B 78 MET B 83 -1 O MET B 83 N LEU B 18 SHEET 4 AA1 4 PHE B 68 ASP B 73 -1 N THR B 69 O GLN B 82 SHEET 1 AA2 6 LEU B 11 VAL B 12 0 SHEET 2 AA2 6 THR B 109 VAL B 113 1 O THR B 112 N VAL B 12 SHEET 3 AA2 6 ALA B 92 VAL B 98 -1 N TYR B 94 O THR B 109 SHEET 4 AA2 6 MET B 34 GLN B 39 -1 N HIS B 35 O ALA B 97 SHEET 5 AA2 6 GLU B 46 ILE B 51 -1 O GLU B 46 N ARG B 38 SHEET 6 AA2 6 THR B 58 TYR B 60 -1 O ALA B 59 N ALA B 50 SHEET 1 AA3 4 LEU B 11 VAL B 12 0 SHEET 2 AA3 4 THR B 109 VAL B 113 1 O THR B 112 N VAL B 12 SHEET 3 AA3 4 ALA B 92 VAL B 98 -1 N TYR B 94 O THR B 109 SHEET 4 AA3 4 TYR B 104 LEU B 105 -1 O TYR B 104 N VAL B 98 SSBOND 1 CYS A 100 CYS A 399 1555 1555 2.03 SSBOND 2 CYS B 22 CYS B 96 1555 1555 2.03 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 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