REMARK 2 REMARK 2 RESOLUTION. 2.03 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.7.3_928) 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) : 2.03 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 36.23 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 3 NUMBER OF REFLECTIONS : 56014 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.183 REMARK 3 R VALUE (WORKING SET) : 0.181 REMARK 3 FREE R VALUE : 0.223 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.060 REMARK 3 FREE R VALUE TEST SET COUNT : 2834 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 36.2321 - 5.5123 0.99 2727 142 0.1975 0.2205 REMARK 3 2 5.5123 - 4.3777 1.00 2714 138 0.1395 0.1712 REMARK 3 3 4.3777 - 3.8250 1.00 2701 127 0.1589 0.1821 REMARK 3 4 3.8250 - 3.4756 1.00 2689 152 0.1656 0.2012 REMARK 3 5 3.4756 - 3.2266 1.00 2645 141 0.1760 0.2032 REMARK 3 6 3.2266 - 3.0365 1.00 2675 151 0.1791 0.2192 REMARK 3 7 3.0365 - 2.8845 1.00 2676 146 0.1849 0.2172 REMARK 3 8 2.8845 - 2.7590 1.00 2664 142 0.1903 0.2742 REMARK 3 9 2.7590 - 2.6528 1.00 2664 144 0.1859 0.2755 REMARK 3 10 2.6528 - 2.5613 1.00 2623 154 0.1944 0.2602 REMARK 3 11 2.5613 - 2.4812 1.00 2707 133 0.1904 0.2296 REMARK 3 12 2.4812 - 2.4103 1.00 2653 122 0.1921 0.2171 REMARK 3 13 2.4103 - 2.3469 1.00 2631 149 0.1940 0.2478 REMARK 3 14 2.3469 - 2.2896 1.00 2663 143 0.2004 0.2651 REMARK 3 15 2.2896 - 2.2376 1.00 2655 162 0.2045 0.2830 REMARK 3 16 2.2376 - 2.1900 1.00 2634 133 0.2054 0.2527 REMARK 3 17 2.1900 - 2.1462 1.00 2645 142 0.2126 0.2469 REMARK 3 18 2.1462 - 2.1057 1.00 2663 122 0.2239 0.2789 REMARK 3 19 2.1057 - 2.0681 0.99 2631 152 0.2376 0.3245 REMARK 3 20 2.0681 - 2.0330 0.95 2520 139 0.2226 0.2340 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.10 REMARK 3 SHRINKAGE RADIUS : 0.86 REMARK 3 K_SOL : 0.37 REMARK 3 B_SOL : 59.51 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.270 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.320 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) : -0.09380 REMARK 3 B22 (A**2) : -0.59440 REMARK 3 B33 (A**2) : 0.68820 REMARK 3 B12 (A**2) : -0.00000 REMARK 3 B13 (A**2) : -0.05220 REMARK 3 B23 (A**2) : -0.00000 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 : 0.008 6598 REMARK 3 ANGLE : 1.168 9004 REMARK 3 CHIRALITY : 0.081 1074 REMARK 3 PLANARITY : 0.005 1158 REMARK 3 DIHEDRAL : 13.243 2276 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : 5 REMARK 3 NCS GROUP : 1 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: chain 'L' and (resseq 2:107 ) REMARK 3 SELECTION : chain 'M' and (resseq 2:107 ) REMARK 3 ATOM PAIRS NUMBER : 819 REMARK 3 RMSD : 0.055 REMARK 3 NCS GROUP : 2 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: chain 'L' and (resseq 109:211 ) and (not REMARK 3 resseq 159) REMARK 3 SELECTION : chain 'M' and (resseq 109:211 ) and (not REMARK 3 resseq 159) REMARK 3 ATOM PAIRS NUMBER : 764 REMARK 3 RMSD : 0.040 REMARK 3 NCS GROUP : 3 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: chain 'H' and (resseq 2:113 ) and (not REMARK 3 resseq 53:54) REMARK 3 SELECTION : chain 'I' and (resseq 2:113 ) and (not REMARK 3 resseq 53:54) REMARK 3 ATOM PAIRS NUMBER : 825 REMARK 3 RMSD : 0.040 REMARK 3 NCS GROUP : 4 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: chain 'H' and (resseq 115:213 ) and (not REMARK 3 (resseq 128:135 or resseq 171:174 or REMARK 3 resseq 186:190 or resseq 211:213)) REMARK 3 SELECTION : chain 'I' and (resseq 115:213 ) and (not REMARK 3 (resseq 128:135 or resseq 171:174 or REMARK 3 resseq 186:190 or resseq 211:213)) REMARK 3 ATOM PAIRS NUMBER : 581 REMARK 3 RMSD : 0.059 REMARK 3 NCS GROUP : 5 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: chain 'P' REMARK 3 SELECTION : Chain 'Q' REMARK 3 ATOM PAIRS NUMBER : 74 REMARK 3 RMSD : 0.025 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4JO1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-MAR-13. REMARK 100 THE RCSB ID CODE IS RCSB078287. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-JUN-10 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X6A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : CHANNEL CUT SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 270 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 56014 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.033 REMARK 200 RESOLUTION RANGE LOW (A) : 36.226 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 200 DATA REDUNDANCY : 4.200 REMARK 200 R MERGE (I) : 0.07400 REMARK 200 R SYM (I) : 0.08500 REMARK 200 FOR THE DATA SET : 18.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.03 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.2 REMARK 200 DATA REDUNDANCY IN SHELL : 3.80 REMARK 200 R MERGE FOR SHELL (I) : 0.64200 REMARK 200 R SYM FOR SHELL (I) : 0.45000 REMARK 200 FOR SHELL : 2.400 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 2X71 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.25 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.33 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 26% PEG6000, 1 M LITHIUM CHLORIDE, 0.1 REMARK 280 M TRIS, PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 296K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-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 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 37.17350 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 TOTAL BURIED SURFACE AREA: 4590 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19270 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -61.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: P, L, H 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4490 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19230 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -55.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: Q, M, I 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 ASN P 301 REMARK 465 ASN P 302 REMARK 465 ARG P 315 REMARK 465 ALA P 316 REMARK 465 PHE P 317 REMARK 465 TYR P 318 REMARK 465 THR P 319 REMARK 465 THR P 320 REMARK 465 GLY P 321 REMARK 465 GLU P 322 REMARK 465 ILE P 323 REMARK 465 ILE P 324 REMARK 465 GLY P 325 REMARK 465 ASN Q 301 REMARK 465 ASN Q 302 REMARK 465 ARG Q 315 REMARK 465 ALA Q 316 REMARK 465 PHE Q 317 REMARK 465 TYR Q 318 REMARK 465 THR Q 319 REMARK 465 THR Q 320 REMARK 465 GLY Q 321 REMARK 465 GLU Q 322 REMARK 465 ILE Q 323 REMARK 465 ILE Q 324 REMARK 465 GLY Q 325 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 SG CYS I 128 CB CYS I 213 1.41 REMARK 500 O HOH I 566 O HOH I 573 1.81 REMARK 500 O HOH H 585 O HOH H 586 1.81 REMARK 500 O HOH I 588 O HOH I 592 1.88 REMARK 500 O THR H 52A O HOH H 516 1.89 REMARK 500 CB CYS I 128 SG CYS I 213 1.89 REMARK 500 NZ LYS L 138 O HOH L 523 1.94 REMARK 500 O HOH L 587 O HOH L 590 1.96 REMARK 500 OD1 ASN M 137 O HOH M 553 1.98 REMARK 500 O HOH L 575 O HOH L 577 1.98 REMARK 500 O HOH H 580 O HOH H 592 1.99 REMARK 500 O HOH L 579 O HOH L 586 2.00 REMARK 500 OE1 GLU I 52 OG SER I 54 2.03 REMARK 500 O HOH M 542 O HOH M 543 2.03 REMARK 500 O HOH M 588 O HOH M 596 2.03 REMARK 500 OD2 ASP I 130 O HOH I 498 2.05 REMARK 500 O HOH I 584 O HOH I 598 2.05 REMARK 500 OD1 ASN H 161 O HOH H 513 2.07 REMARK 500 O CYS I 128 O HOH I 583 2.11 REMARK 500 OD1 ASN L 137 O HOH L 532 2.12 REMARK 500 O HOH I 565 O HOH I 597 2.13 REMARK 500 O SER H 186 O HOH H 565 2.13 REMARK 500 O HOH L 543 O HOH L 594 2.16 REMARK 500 OE1 GLU H 52 OG SER H 54 2.16 REMARK 500 NZ LYS M 63 O HOH M 522 2.16 REMARK 500 O HOH H 485 O HOH H 524 2.18 REMARK 500 O HOH I 591 O HOH I 593 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH L 524 O HOH M 534 2556 1.78 REMARK 500 REMARK 500 REMARK: NULL 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 L 107 CD - NE - CZ ANGL. DEV. = 11.8 DEGREES REMARK 500 ARG L 107 NE - CZ - NH1 ANGL. DEV. = -9.4 DEGREES REMARK 500 ARG L 107 NE - CZ - NH2 ANGL. DEV. = 8.8 DEGREES REMARK 500 ARG M 107 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES REMARK 500 ARG M 107 NE - CZ - NH2 ANGL. DEV. = -4.6 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 ASN L 30 -3.21 59.99 REMARK 500 ALA L 51 -40.09 72.95 REMARK 500 SER L 52 -0.98 -143.61 REMARK 500 ALA L 84 -177.13 -170.70 REMARK 500 LYS L 138 71.15 49.55 REMARK 500 CYS L 170 -1.64 71.70 REMARK 500 SER H 54 -36.52 78.13 REMARK 500 ASP H 55 49.09 39.48 REMARK 500 CYS H 128 99.98 -56.90 REMARK 500 PRO H 132 164.45 -43.72 REMARK 500 SER H 133 -158.48 -150.48 REMARK 500 SER H 134 -76.57 66.42 REMARK 500 SER H 188 -103.09 -120.93 REMARK 500 SER P 306 -152.24 -151.58 REMARK 500 ASN M 30 -3.42 58.95 REMARK 500 ALA M 51 -39.72 73.94 REMARK 500 ALA M 84 -176.81 -171.31 REMARK 500 CYS M 170 -1.76 74.01 REMARK 500 ASP I 55 44.72 39.43 REMARK 500 PRO I 132 -101.91 -91.19 REMARK 500 SER I 134 -69.03 -145.97 REMARK 500 SER I 211 -77.09 -5.77 REMARK 500 SER Q 306 -150.24 -151.36 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA I 301 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH I 436 O REMARK 620 2 HOH I 434 O 58.4 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA L 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA L 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA H 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA M 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA I 301 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4JO2 RELATED DB: PDB REMARK 900 RELATED ID: 4JO3 RELATED DB: PDB REMARK 900 RELATED ID: 4JO4 RELATED DB: PDB