REMARK 2 REMARK 2 RESOLUTION. 2.64 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.8.2_1309) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.64 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 48.83 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 2.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 95.8 REMARK 3 NUMBER OF REFLECTIONS : 34214 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.230 REMARK 3 R VALUE (WORKING SET) : 0.228 REMARK 3 FREE R VALUE : 0.258 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1710 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 48.8300 - 6.0414 0.96 2698 142 0.2048 0.2180 REMARK 3 2 6.0414 - 4.7966 0.95 2722 143 0.2005 0.2261 REMARK 3 3 4.7966 - 4.1906 0.96 2656 140 0.1811 0.2166 REMARK 3 4 4.1906 - 3.8076 0.96 2733 144 0.2041 0.2583 REMARK 3 5 3.8076 - 3.5348 0.96 2711 142 0.2214 0.2604 REMARK 3 6 3.5348 - 3.3264 0.97 2739 145 0.2327 0.2556 REMARK 3 7 3.3264 - 3.1599 0.97 2733 143 0.2561 0.2749 REMARK 3 8 3.1599 - 3.0224 0.97 2701 143 0.2741 0.2825 REMARK 3 9 3.0224 - 2.9060 0.95 2715 141 0.2832 0.3281 REMARK 3 10 2.9060 - 2.8058 0.96 2716 144 0.3002 0.3358 REMARK 3 11 2.8058 - 2.7180 0.96 2694 141 0.3005 0.3197 REMARK 3 12 2.7180 - 2.6400 0.93 2686 142 0.3192 0.3421 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.360 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.820 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.004 8259 REMARK 3 ANGLE : 0.764 11172 REMARK 3 CHIRALITY : 0.054 1235 REMARK 3 PLANARITY : 0.004 1454 REMARK 3 DIHEDRAL : 14.757 2970 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: all REMARK 3 ORIGIN FOR THE GROUP (A): 19.7348 8.4950 -20.5218 REMARK 3 T TENSOR REMARK 3 T11: 0.4435 T22: 0.2906 REMARK 3 T33: 0.2822 T12: -0.0287 REMARK 3 T13: -0.0454 T23: -0.0802 REMARK 3 L TENSOR REMARK 3 L11: 0.4813 L22: 0.1959 REMARK 3 L33: 0.2041 L12: 0.0832 REMARK 3 L13: -0.1984 L23: -0.0906 REMARK 3 S TENSOR REMARK 3 S11: 0.0862 S12: -0.0004 S13: 0.0208 REMARK 3 S21: -0.0132 S22: -0.0260 S23: 0.0263 REMARK 3 S31: 0.0633 S32: -0.0047 S33: -0.0542 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: SEVERAL ATOMS IN NAG C702 HAS BEEN SET REMARK 3 TO ZERO OCCUPANCY BY PURPOSE, SINCE THEY ARE NOT COVERED BY THE REMARK 3 2FO-FC DENSITY AT 1.0 ANG SIGMA CONTOUR LEVEL REMARK 4 REMARK 4 4LEO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-JUN-13. REMARK 100 THE RCSB ID CODE IS RCSB080534. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 21-MAY-12 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : PH 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID23-2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.8726 REMARK 200 MONOCHROMATOR : HORIZONTALLY SIDE DIFFRACTING REMARK 200 SILICON 111 CRYSTAL. FIXED REMARK 200 WAVELENGTH (0.873) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XDS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 34229 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.640 REMARK 200 RESOLUTION RANGE LOW (A) : 48.830 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.6 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.64 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.80 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.8 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.10 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.68 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M POTASSIUM SODIUM TARTRATE REMARK 280 TETRAHYDRATE, 20% W/V POLYETHYLENE GLYCOL 3350 , PH PH 8.5, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL 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: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C 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 SER A 135 REMARK 465 LYS A 136 REMARK 465 SER A 137 REMARK 465 THR A 138 REMARK 465 SER A 139 REMARK 465 GLY A 140 REMARK 465 LYS A 221 REMARK 465 SER A 222 REMARK 465 CYS A 223 REMARK 465 ASP A 224 REMARK 465 LYS A 225 REMARK 465 THR A 226 REMARK 465 HIS A 227 REMARK 465 CYS B 220 REMARK 465 SER C 1 REMARK 465 GLU C 2 REMARK 465 VAL C 3 REMARK 465 GLY C 4 REMARK 465 ASN C 5 REMARK 465 SER C 6 REMARK 465 GLN C 7 REMARK 465 THR C 20 REMARK 465 GLY C 21 REMARK 465 ASP C 22 REMARK 465 GLY C 612 REMARK 465 ALA C 613 REMARK 465 ALA C 614 REMARK 465 ALA C 615 REMARK 465 LEU C 616 REMARK 465 GLU C 617 REMARK 465 VAL C 618 REMARK 465 LEU C 619 REMARK 465 PHE C 620 REMARK 465 GLN C 621 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 GLN A 1 CG CD OE1 NE2 REMARK 480 GLN A 3 CD OE1 NE2 REMARK 480 LYS A 12 NZ REMARK 480 LYS A 13 CG CD CE NZ REMARK 480 LYS A 19 NZ REMARK 480 ARG A 30 CG CD NE CZ NH1 NH2 REMARK 480 GLN A 62 CD OE1 NE2 REMARK 480 LYS A 63 CG CD CE NZ REMARK 480 VAL A 68 CG2 REMARK 480 ARG A 84 CZ NH1 NH2 REMARK 480 ARG A 87 NE CZ NH1 NH2 REMARK 480 ASP A 89 OD1 OD2 REMARK 480 SER A 122 OG REMARK 480 ILE A 202 CD1 REMARK 480 ASN A 206 OD1 ND2 REMARK 480 LYS A 208 CG CD CE NZ REMARK 480 ASN A 211 CG OD1 ND2 REMARK 480 LYS A 213 CG CD CE NZ REMARK 480 LYS A 216 CD CE NZ REMARK 480 LYS A 217 CD CE NZ REMARK 480 GLU A 219 CD OE1 OE2 REMARK 480 GLU B 17 OE1 OE2 REMARK 480 LYS B 24 CE NZ REMARK 480 GLN B 27 NE2 REMARK 480 LYS B 51 CE NZ REMARK 480 ASP B 76 OD2 REMARK 480 LYS B 109 CD CE NZ REMARK 480 LYS B 113 NZ REMARK 480 ASP B 128 CG OD1 OD2 REMARK 480 GLU B 129 CG CD OE1 OE2 REMARK 480 LYS B 132 CD CE NZ REMARK 480 LYS B 151 CD CE NZ REMARK 480 LYS B 155 CE NZ REMARK 480 ASN B 158 CG OD1 ND2 REMARK 480 GLU B 167 OE1 REMARK 480 LYS B 175 CD CE NZ REMARK 480 LYS B 189 NZ REMARK 480 GLU B 193 CG CD OE1 OE2 REMARK 480 LYS B 194 CG CD CE NZ REMARK 480 LYS B 196 CG CD CE NZ REMARK 480 GLN B 205 CG CD OE1 NE2 REMARK 480 LEU B 207 CD1 REMARK 480 SER B 208 OG REMARK 480 ASN B 216 OD1 ND2 REMARK 480 GLY B 218 O REMARK 480 GLU B 219 O CG CD OE1 OE2 REMARK 480 LEU C 14 C CB CG CD1 CD2 REMARK 480 VAL C 19 CG1 CG2 REMARK 480 ASN C 25 OD1 ND2 REMARK 480 GLN C 26 CG CD OE1 NE2 REMARK 480 LEU C 30 CD1 CD2 REMARK 480 TYR C 31 CZ REMARK 480 LYS C 32 CG CD CE NZ REMARK 480 LEU C 33 CD1 CD2 REMARK 480 ARG C 36 CD NE CZ NH1 NH2 REMARK 480 MET C 41 SD CE REMARK 480 GLU C 74 OE1 OE2 REMARK 480 SER C 76 OG REMARK 480 ARG C 84 NH1 NH2 REMARK 480 ASN C 107 CG OD1 ND2 REMARK 480 SER C 109 OG REMARK 480 ARG C 116 NH1 NH2 REMARK 480 GLN C 119 OE1 NE2 REMARK 480 LYS C 135 CE NZ REMARK 480 ARG C 149 NE CZ NH1 NH2 REMARK 480 ARG C 151 CG CD NE CZ NH1 NH2 REMARK 480 SER C 163 OG REMARK 480 GLU C 169 CG CD OE1 OE2 REMARK 480 LYS C 172 CD CE NZ REMARK 480 GLU C 181 OE1 OE2 REMARK 480 LYS C 188 CB CG CD CE NZ REMARK 480 THR C 189 OG1 CG2 REMARK 480 ILE C 190 O CG1 CG2 CD1 REMARK 480 GLN C 194 CD OE1 NE2 REMARK 480 ASN C 205 ND2 REMARK 480 ASP C 210 CG OD1 OD2 REMARK 480 ARG C 239 CD NE CZ NH1 NH2 REMARK 480 GLN C 242 CG CD OE1 NE2 REMARK 480 LYS C 248 NZ REMARK 480 LYS C 260 NZ REMARK 480 TYR C 263 OH REMARK 480 HIS C 273 N CB CG ND1 CD2 CE1 NE2 REMARK 480 ASN C 274 CG OD1 ND2 REMARK 480 GLN C 279 CG CD OE1 NE2 REMARK 480 ARG C 284 CG CD NE CZ NH1 NH2 REMARK 480 ASP C 289 CB CG OD1 OD2 REMARK 480 LYS C 290 CE NZ REMARK 480 ASP C 294 N CA CB CG OD1 OD2 REMARK 480 LYS C 295 CD CE NZ REMARK 480 LYS C 299 CE NZ REMARK 480 GLU C 302 CD OE1 OE2 REMARK 480 LYS C 310 NZ REMARK 480 GLU C 313 CD OE1 OE2 REMARK 480 GLN C 322 CD OE1 NE2 REMARK 480 ILE C 346 CG1 CD1 REMARK 480 TRP C 354 CE3 CZ2 CZ3 CH2 REMARK 480 ILE C 357 CD1 REMARK 480 GLU C 363 CG CD OE1 OE2 REMARK 480 ARG C 372 NE CZ NH1 NH2 REMARK 480 ARG C 407 CD NE CZ NH1 NH2 REMARK 480 LYS C 415 CD CE NZ REMARK 480 ARG C 425 CZ NH1 NH2 REMARK 480 LYS C 428 CD CE NZ REMARK 480 ARG C 441 NE CZ NH1 NH2 REMARK 480 GLN C 442 OE1 NE2 REMARK 480 SER C 448 OG REMARK 480 LYS C 453 CG CD CE NZ REMARK 480 GLU C 460 CG CD OE1 OE2 REMARK 480 GLU C 461 CG CD OE1 OE2 REMARK 480 LYS C 466 CE NZ REMARK 480 ARG C 472 CG CD NE CZ NH1 NH2 REMARK 480 LEU C 484 CD1 CD2 REMARK 480 ARG C 502 NH1 NH2 REMARK 480 GLU C 520 O CG CD OE1 OE2 REMARK 480 GLU C 527 CG CD OE1 OE2 REMARK 480 GLU C 529 CD OE1 OE2 REMARK 480 GLU C 536 OE1 OE2 REMARK 480 GLU C 541 CG CD OE1 OE2 REMARK 480 ARG C 561 CZ NH1 NH2 REMARK 480 HIS C 572 CG ND1 CD2 CE1 NE2 REMARK 480 LYS C 578 CG CD CE NZ REMARK 480 VAL C 587 CA CB CG1 CG2 REMARK 480 GLN C 588 CD OE1 NE2 REMARK 480 GLU C 590 CD OE1 OE2 REMARK 480 ARG C 592 CZ NH1 NH2 REMARK 480 GLN C 600 CG CD OE1 NE2 REMARK 480 LYS C 603 CG CD CE NZ REMARK 480 GLU C 606 CD OE1 OE2 REMARK 480 LEU C 611 CD1 CD2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG C 116 NE - CZ - NH2 ANGL. DEV. = 4.7 DEGREES REMARK 500 LEU C 307 CA - CB - CG ANGL. DEV. = 15.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 31 59.81 -92.01 REMARK 500 ASP A 151 78.12 56.98 REMARK 500 PHE A 153 129.26 -171.33 REMARK 500 ALA B 57 -51.39 74.54 REMARK 500 ALA B 90 -177.66 -171.59 REMARK 500 LYS B 175 -60.48 -95.60 REMARK 500 ASN C 52 49.31 -108.39 REMARK 500 MET C 72 56.81 34.57 REMARK 500 LYS C 95 -35.59 -131.51 REMARK 500 ASN C 107 -57.25 -142.71 REMARK 500 SER C 108 158.23 -46.12 REMARK 500 LEU C 117 59.77 -115.48 REMARK 500 HIS C 138 -3.75 67.15 REMARK 500 ASN C 160 -147.43 -112.79 REMARK 500 ASN C 205 32.29 -99.14 REMARK 500 HIS C 229 -77.97 -132.93 REMARK 500 PRO C 272 179.93 -57.93 REMARK 500 ASN C 274 49.16 -106.54 REMARK 500 GLN C 279 -115.01 59.47 REMARK 500 PHE C 393 47.39 -100.22 REMARK 500 ASN C 406 -120.48 55.50 REMARK 500 ARG C 407 57.52 -90.00 REMARK 500 TYR C 445 -23.68 85.12 REMARK 500 ASN C 468 -160.00 -97.49 REMARK 500 ASN C 503 -81.34 -114.92 REMARK 500 GLU C 536 12.29 81.55 REMARK 500 HIS C 559 -84.23 -105.46 REMARK 500 ASN C 589 14.28 59.27 REMARK 500 GLN C 600 -55.53 -126.36 REMARK 500 CYS C 602 -70.89 -125.82 REMARK 500 LYS C 603 -54.73 66.35 REMARK 500 REMARK 500 REMARK: NULL REMARK 615 REMARK 615 ZERO OCCUPANCY ATOM REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 615 M RES C SSEQI REMARK 615 NAG C 702 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG C 701 BOUND REMARK 800 TO ASN C 231 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG C 702 BOUND REMARK 800 TO ASN C 334 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN C OF SUGAR BOUND TO ASN C REMARK 800 389 RESIDUES 703 TO 704 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG C 705 BOUND REMARK 800 TO ASN C 395 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG C 706 BOUND REMARK 800 TO ASN C 418 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE NAG C 707 BOUND REMARK 800 TO ASN C 597