REMARK 2 REMARK 2 RESOLUTION. 2.28 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: DEV_998) 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) : 2.28 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.50 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 90.5 REMARK 3 NUMBER OF REFLECTIONS : 40990 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.198 REMARK 3 R VALUE (WORKING SET) : 0.194 REMARK 3 FREE R VALUE : 0.258 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.050 REMARK 3 FREE R VALUE TEST SET COUNT : 2069 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 39.5056 - 5.6152 0.99 3055 165 0.2058 0.2458 REMARK 3 2 5.6152 - 4.4589 1.00 2933 145 0.1538 0.2061 REMARK 3 3 4.4589 - 3.8958 0.99 2883 160 0.1536 0.2141 REMARK 3 4 3.8958 - 3.5399 0.99 2855 146 0.1766 0.2442 REMARK 3 5 3.5399 - 3.2863 0.97 2783 155 0.2022 0.2874 REMARK 3 6 3.2863 - 3.0926 0.97 2718 175 0.2089 0.2728 REMARK 3 7 3.0926 - 2.9378 0.93 2638 141 0.2068 0.2598 REMARK 3 8 2.9378 - 2.8099 0.90 2590 127 0.2120 0.2932 REMARK 3 9 2.8099 - 2.7018 0.87 2484 114 0.2200 0.2843 REMARK 3 10 2.7018 - 2.6086 0.87 2420 145 0.2449 0.3663 REMARK 3 11 2.6086 - 2.5270 0.85 2457 115 0.2424 0.2802 REMARK 3 12 2.5270 - 2.4548 0.85 2415 131 0.2321 0.2995 REMARK 3 13 2.4548 - 2.3902 0.83 2336 114 0.2430 0.3362 REMARK 3 14 2.3902 - 2.3319 0.80 2251 113 0.2574 0.3540 REMARK 3 15 2.3319 - 2.2789 0.75 2103 123 0.2451 0.3237 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 : 0.31 REMARK 3 B_SOL : 43.75 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.320 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 28.740 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 41.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 78.32 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 22.93630 REMARK 3 B22 (A**2) : -11.92280 REMARK 3 B33 (A**2) : -11.01350 REMARK 3 B12 (A**2) : -0.00000 REMARK 3 B13 (A**2) : -0.00000 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 : 0.005 6244 REMARK 3 ANGLE : 0.854 8469 REMARK 3 CHIRALITY : 0.048 963 REMARK 3 PLANARITY : 0.003 1076 REMARK 3 DIHEDRAL : 14.078 2275 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 6 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: (CHAIN G AND (RESID 44:252 OR RESID 474:492 ) ) REMARK 3 ORIGIN FOR THE GROUP (A): -13.0200 0.4023 47.6568 REMARK 3 T TENSOR REMARK 3 T11: 0.2528 T22: 0.2403 REMARK 3 T33: 0.4253 T12: 0.0126 REMARK 3 T13: 0.1444 T23: 0.0048 REMARK 3 L TENSOR REMARK 3 L11: 2.7263 L22: 3.4836 REMARK 3 L33: 4.0454 L12: -0.8148 REMARK 3 L13: 2.3953 L23: -0.6313 REMARK 3 S TENSOR REMARK 3 S11: 0.0396 S12: 0.0863 S13: 0.0084 REMARK 3 S21: -0.1187 S22: -0.0419 S23: 0.3319 REMARK 3 S31: -0.1648 S32: -0.1491 S33: 0.0058 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: (CHAIN G AND RESID 253:473 ) REMARK 3 ORIGIN FOR THE GROUP (A): -15.7102 -21.8072 49.2238 REMARK 3 T TENSOR REMARK 3 T11: 0.3200 T22: 0.2636 REMARK 3 T33: 0.5785 T12: -0.0619 REMARK 3 T13: 0.1383 T23: -0.0092 REMARK 3 L TENSOR REMARK 3 L11: 2.1569 L22: 2.3616 REMARK 3 L33: 3.1384 L12: -0.4861 REMARK 3 L13: 0.7125 L23: 0.2077 REMARK 3 S TENSOR REMARK 3 S11: -0.0023 S12: -0.0950 S13: -0.2085 REMARK 3 S21: 0.1462 S22: -0.0218 S23: 0.6602 REMARK 3 S31: 0.4424 S32: -0.4206 S33: -0.0237 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: (CHAIN H AND RESID 1:118 ) REMARK 3 ORIGIN FOR THE GROUP (A): 2.0139 -27.5244 28.0974 REMARK 3 T TENSOR REMARK 3 T11: 0.6106 T22: 0.2684 REMARK 3 T33: 0.2981 T12: 0.0279 REMARK 3 T13: 0.0983 T23: 0.0384 REMARK 3 L TENSOR REMARK 3 L11: 4.0929 L22: 3.5943 REMARK 3 L33: 3.6376 L12: -2.6019 REMARK 3 L13: -1.4098 L23: 1.7230 REMARK 3 S TENSOR REMARK 3 S11: 0.2474 S12: 0.2721 S13: 0.0933 REMARK 3 S21: -1.0522 S22: -0.2920 S23: -0.1575 REMARK 3 S31: -0.2829 S32: 0.1304 S33: 0.1018 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: (CHAIN H AND RESID 119:213 ) REMARK 3 ORIGIN FOR THE GROUP (A): 18.9239 -41.7281 1.9240 REMARK 3 T TENSOR REMARK 3 T11: 1.3474 T22: 0.5930 REMARK 3 T33: 0.6477 T12: -0.2464 REMARK 3 T13: 0.3689 T23: -0.1596 REMARK 3 L TENSOR REMARK 3 L11: 1.8192 L22: 1.2053 REMARK 3 L33: 4.2207 L12: -0.3127 REMARK 3 L13: -1.7097 L23: -1.3748 REMARK 3 S TENSOR REMARK 3 S11: 0.2599 S12: 0.1203 S13: 0.3653 REMARK 3 S21: -0.5199 S22: 0.2366 S23: -0.5398 REMARK 3 S31: -1.3712 S32: 0.6078 S33: -0.5031 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: (CHAIN L AND RESID 1:108 ) REMARK 3 ORIGIN FOR THE GROUP (A): -7.5961 -17.4425 9.5981 REMARK 3 T TENSOR REMARK 3 T11: 1.9793 T22: 0.7486 REMARK 3 T33: 0.3302 T12: 0.7004 REMARK 3 T13: -0.0380 T23: 0.1764 REMARK 3 L TENSOR REMARK 3 L11: 0.4809 L22: 1.3453 REMARK 3 L33: 2.5097 L12: -0.3351 REMARK 3 L13: 0.8088 L23: -0.0353 REMARK 3 S TENSOR REMARK 3 S11: 0.5508 S12: 0.6491 S13: 0.2900 REMARK 3 S21: -1.6767 S22: -0.7979 S23: 0.3229 REMARK 3 S31: -0.3779 S32: -0.6904 S33: -0.0898 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: (CHAIN L AND RESID 109:212 ) REMARK 3 ORIGIN FOR THE GROUP (A): 5.5687 -45.6430 -7.4090 REMARK 3 T TENSOR REMARK 3 T11: 1.3777 T22: 0.7713 REMARK 3 T33: 0.5272 T12: 0.1922 REMARK 3 T13: 0.0107 T23: -0.1631 REMARK 3 L TENSOR REMARK 3 L11: 3.8841 L22: 5.8171 REMARK 3 L33: 3.0429 L12: -0.7279 REMARK 3 L13: -1.3625 L23: 1.0824 REMARK 3 S TENSOR REMARK 3 S11: 0.3706 S12: 0.9707 S13: -0.3419 REMARK 3 S21: -0.5944 S22: -0.3145 S23: 0.5783 REMARK 3 S31: -0.9169 S32: -0.7270 S33: -0.0206 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4LSR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JUL-13. REMARK 100 THE RCSB ID CODE IS RCSB081039. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 07-NOV-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-BM REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000 REMARK 200 MONOCHROMATOR : APS BM22 REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 41144 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.280 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.7 REMARK 200 DATA REDUNDANCY : 5.100 REMARK 200 R MERGE (I) : 0.13400 REMARK 200 R SYM (I) : 0.11000 REMARK 200 FOR THE DATA SET : 9.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.28 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.32 REMARK 200 COMPLETENESS FOR SHELL (%) : 75.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.70 REMARK 200 R MERGE FOR SHELL (I) : 0.60200 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 (%): 55.28 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.75 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M TRIS, 11% PEG 4000, 0.2 M LI2SO4, REMARK 280 PH 8.5, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-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 32.46700 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 110.06000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 33.86300 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 110.06000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 32.46700 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 33.86300 REMARK 290 SMTRY3 4 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 APPLY THE FOLLOWING TO CHAINS: G, 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 GLY G 318 REMARK 465 GLY G 319 REMARK 465 SER G 320 REMARK 465 GLY G 321 REMARK 465 SER G 322 REMARK 465 GLY G 323 REMARK 465 GLY G 403 REMARK 465 ASN G 404 REMARK 465 GLU G 405 REMARK 465 THR G 406 REMARK 465 GLU G 495 REMARK 465 TYR H 28B REMARK 465 SER H 28C REMARK 465 PRO H 28D REMARK 465 TYR H 28E REMARK 465 TRP H 28F REMARK 465 VAL H 28G REMARK 465 ASN H 28H REMARK 465 PRO H 28I REMARK 465 SER H 128 REMARK 465 LYS H 129 REMARK 465 SER H 130 REMARK 465 THR H 131 REMARK 465 SER H 132 REMARK 465 GLY H 133 REMARK 465 LYS H 214 REMARK 465 SER H 215 REMARK 465 CYS H 216 REMARK 465 ASP H 217 REMARK 465 LYS H 218 REMARK 465 GLU L 213 REMARK 465 CYS L 214 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 OE1 GLU L 55 O HOH L 322 1.87 REMARK 500 ND2 ASN G 392 C2 NAG G 509 1.99 REMARK 500 NH1 ARG G 273 O HOH G 701 2.04 REMARK 500 O PHE G 233 O HOH G 684 2.04 REMARK 500 O LEU L 46 O HOH L 322 2.09 REMARK 500 O SER G 300 O HOH G 725 2.11 REMARK 500 ND2 ASN G 289 C2 NAG G 504 2.14 REMARK 500 ND2 ASN G 355 C2 NAG G 507 2.15 REMARK 500 O HOH H 420 O HOH H 423 2.15 REMARK 500 O PRO H 149 O HOH H 428 2.16 REMARK 500 O GLY G 462 OG SER G 465 2.17 REMARK 500 O PHE L 67 O HOH L 324 2.19 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 G 80 79.61 -150.66 REMARK 500 GLU G 87 -73.64 -32.59 REMARK 500 ASN G 88 42.75 -109.88 REMARK 500 ASP G 211 110.16 -164.12 REMARK 500 GLN G 258 -54.46 70.77 REMARK 500 GLU G 268 -83.30 -111.09 REMARK 500 ASN G 354 -103.51 32.30 REMARK 500 ASN G 355 33.90 -151.46 REMARK 500 ARG G 379 29.07 48.69 REMARK 500 PHE G 391 60.87 -115.99 REMARK 500 ASN G 411 -179.24 -62.74 REMARK 500 THR G 430 119.74 13.42 REMARK 500 THR G 461 -52.07 -127.76 REMARK 500 SER G 465 -114.93 50.22 REMARK 500 ASP H 28 29.58 125.06 REMARK 500 ASN H 54 10.74 -140.44 REMARK 500 ALA H 158 -64.02 -29.73 REMARK 500 ALA L 51 -43.63 78.28 REMARK 500 PRO L 59 145.41 -39.87 REMARK 500 HIS L 68 -89.73 65.82 REMARK 500 SER L 76 -74.36 -36.27 REMARK 500 ALA L 84 -170.58 -179.25 REMARK 500 TYR L 91 -116.20 58.43 REMARK 500 ASN L 138 72.41 65.25 REMARK 500 SER L 171 33.18 74.75 REMARK 500 ARG L 211 103.58 -48.71 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH G 728 DISTANCE = 6.89 ANGSTROMS REMARK 525 HOH H 445 DISTANCE = 5.68 ANGSTROMS REMARK 525 HOH H 449 DISTANCE = 11.60 ANGSTROMS REMARK 525 HOH H 450 DISTANCE = 5.45 ANGSTROMS REMARK 525 HOH L 315 DISTANCE = 6.24 ANGSTROMS REMARK 525 HOH L 316 DISTANCE = 8.30 ANGSTROMS REMARK 525 HOH L 319 DISTANCE = 5.22 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 501 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 502 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 503 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 504 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 505 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 506 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 507 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 508 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 509 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 G 510 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 G 511 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 G 512 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 G 513 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 H 301 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3NGB RELATED DB: PDB REMARK 900 RELATED ID: 3SE8 RELATED DB: PDB REMARK 900 RELATED ID: 3SE9 RELATED DB: PDB REMARK 900 RELATED ID: 4JPV RELATED DB: PDB REMARK 900 RELATED ID: 4JPW RELATED DB: PDB REMARK 900 RELATED ID: 4U7Y RELATED DB: PDB REMARK 900 RELATED ID: 4JB9 RELATED DB: PDB REMARK 900 RELATED ID: 4J6R RELATED DB: PDB