REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.D.KWONG,R.WYATT,J.ROBINSON,R.W.SWEET,J.SODROSKI, REMARK 1 AUTH 2 W.A.HENDRICKSON REMARK 1 TITL STRUCTURE OF AN HIV GP120 ENVELOPE GLYCOPROTEIN IN COMPLEX REMARK 1 TITL 2 WITH THE CD4 RECEPTOR AND A NEUTRALIZING HUMAN ANTIBODY REMARK 1 REF NATURE V. 393 648 1998 REMARK 1 REFN ISSN 0028-0836 REMARK 1 DOI 10.1038/31405 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 87.7 REMARK 3 NUMBER OF REFLECTIONS : 55781 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.268 REMARK 3 FREE R VALUE : 0.330 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.200 REMARK 3 FREE R VALUE TEST SET COUNT : 3946 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 50 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.21 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 66.10 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 787 REMARK 3 BIN R VALUE (WORKING SET) : 0.4339 REMARK 3 BIN FREE R VALUE : 0.4312 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.20 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 54 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.058 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 7149 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 220 REMARK 3 SOLVENT ATOMS : 953 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 17.50 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 31.50 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -8.26800 REMARK 3 B22 (A**2) : 1.01000 REMARK 3 B33 (A**2) : 7.25800 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 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.37 REMARK 3 ESD FROM SIGMAA (A) : 0.57 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.47 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.70 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 1.19 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.20 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.87 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.700 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.940 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.060 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.130 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.31 REMARK 3 BSOL : 52.77 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : CNS-PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : CNS-WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : CNS-CARBOHYDRATE.PARAM REMARK 3 PARAMETER FILE 4 : CNS-ION.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : CNS-PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : CNS-WATER_REP.TOP REMARK 3 TOPOLOGY FILE 3 : CNS-CARBOHYDRATE.TOP REMARK 3 TOPOLOGY FILE 4 : CNS-ION.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: OVERALL ANISOTROPIC B VALUE CORRECTION REMARK 3 APPLIED TO DATA DURING CNS REFINEMENT REMARK 4 REMARK 4 1G9M COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-DEC-00. REMARK 100 THE RCSB ID CODE IS RCSB012405. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-MAY-96 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 6.4 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97953 REMARK 200 MONOCHROMATOR : SILICON CRYSTAL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : FUJI REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 56183 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -0.350 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 87.7 REMARK 200 DATA REDUNDANCY : 2.470 REMARK 200 R MERGE (I) : 0.14500 REMARK 200 R SYM (I) : 0.14500 REMARK 200 FOR THE DATA SET : 5.3300 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 REMARK 200 COMPLETENESS FOR SHELL (%) : 66.3 REMARK 200 DATA REDUNDANCY IN SHELL : 1.60 REMARK 200 R MERGE FOR SHELL (I) : 0.38200 REMARK 200 R SYM FOR SHELL (I) : 0.38200 REMARK 200 FOR SHELL : 2.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: THIS DEPOSIT IS THE REMARK 200 REFINEMENT OF THE PREVIOUSLY DETERMINED 1GC1 STRUCTURE REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: PDB ENTRY 1GC1 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 59.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.00 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: VAPOUR DIFFUSION CRYSTALLIZATION: 0.5 REMARK 280 UL OF PROTEIN (~10MG/ML IN 350 MM NACL, 5 MM TRISCL PH 7.0) + 0.4 REMARK 280 UL OF 0.1 M NACITRATE, 0.02 M NAHEPES, 10% ISOPROPANOL, 10.5% REMARK 280 MONOMETHYL-PEG 5000, 0.0075% SEAPREP AGAROSE, PH 6.4 OVER A REMARK 280 RESERVOIR OF 0.35 M NACL, 0.1 M NACITRATE, 0.02 M NAHEPES, 10% REMARK 280 ISOPROPANOL, 10.5% MONOMETHYL-PEG 5000, PH 6.4, VAPOR DIFFUSION, REMARK 280 HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 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 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 98.27000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 98.27000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 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: TETRAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, C, 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 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 79 REMARK 465 ALA G 80 REMARK 465 ARG G 81 REMARK 465 SER G 82 REMARK 465 SER G 398 REMARK 465 THR G 399 REMARK 465 TRP G 400 REMARK 465 SER G 401 REMARK 465 THR G 402 REMARK 465 GLU G 403 REMARK 465 GLY G 404 REMARK 465 SER G 405 REMARK 465 ASN G 406 REMARK 465 ASN G 407 REMARK 465 THR G 408 REMARK 465 GLU G 409 REMARK 465 ALA C 182 REMARK 465 SER C 183 REMARK 465 ASN C 184 REMARK 465 THR C 185 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 O MET G 426 O HOH G 1049 2.11 REMARK 500 OG SER H 168 O HOH H 295 2.17 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 94 92.30 -172.80 REMARK 500 SER G 115 -68.50 -106.58 REMARK 500 VAL G 120 141.68 -171.37 REMARK 500 LEU G 125 74.82 -174.68 REMARK 500 VAL G 127 10.92 -68.15 REMARK 500 ALA G 129 29.72 -75.54 REMARK 500 GLN G 258 -5.71 55.29 REMARK 500 GLU G 267 -74.86 -58.24 REMARK 500 GLU G 268 -102.13 -62.87 REMARK 500 ASN G 276 103.14 -170.53 REMARK 500 PHE G 353 -93.02 -102.51 REMARK 500 ASN G 392 79.54 -150.87 REMARK 500 PHE G 396 73.77 53.52 REMARK 500 ASP G 412 -73.74 -146.89 REMARK 500 ARG G 419 128.45 -175.22 REMARK 500 ASN G 462 -90.38 -75.64 REMARK 500 SER G 465 145.89 179.02 REMARK 500 LYS G 487 139.47 -171.71 REMARK 500 CYS C 16 101.19 -174.10 REMARK 500 LYS C 21 51.42 -94.25 REMARK 500 ASN C 30 -154.03 -103.53 REMARK 500 GLN C 33 19.93 55.34 REMARK 500 ILE C 36 -68.86 -96.04 REMARK 500 PRO C 48 11.97 -57.31 REMARK 500 ASN C 52 -73.53 -44.80 REMARK 500 ASP C 53 5.37 -67.64 REMARK 500 ASP C 80 171.67 176.34 REMARK 500 GLU C 87 52.81 31.55 REMARK 500 VAL C 93 128.14 -170.90 REMARK 500 HIS C 107 91.90 -56.28 REMARK 500 PRO C 122 151.05 -46.00 REMARK 500 SER C 124 124.27 -171.08 REMARK 500 LYS C 142 -34.47 -148.22 REMARK 500 PHE C 179 179.03 -57.12 REMARK 500 GLN C 180 -159.93 -118.43 REMARK 500 SER L 30 -119.95 60.51 REMARK 500 ALA L 51 -21.77 71.14 REMARK 500 SER L 52 -5.37 -146.24 REMARK 500 PRO L 59 156.70 -46.85 REMARK 500 SER L 76 -92.79 -46.64 REMARK 500 ALA L 84 -173.46 -172.61 REMARK 500 PRO L 95 150.31 -42.21 REMARK 500 ASN L 140 79.02 46.33 REMARK 500 SER L 158 137.96 -177.65 REMARK 500 GLU L 189 14.18 -66.89 REMARK 500 LYS L 192 -79.19 -93.03 REMARK 500 SER L 204 -74.86 -52.18 REMARK 500 ALA H 9 152.95 -48.86 REMARK 500 ASP H 27 -160.85 -161.53 REMARK 500 ASP H 56 34.83 70.00 REMARK 500 REMARK 500 THIS ENTRY HAS 58 RAMACHANDRAN OUTLIERS. 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 C 233 DISTANCE = 5.80 ANGSTROMS REMARK 525 HOH C 244 DISTANCE = 5.72 ANGSTROMS REMARK 525 HOH C 247 DISTANCE = 5.80 ANGSTROMS REMARK 525 HOH C 249 DISTANCE = 5.41 ANGSTROMS REMARK 525 HOH C 259 DISTANCE = 5.34 ANGSTROMS REMARK 525 HOH C 262 DISTANCE = 5.18 ANGSTROMS REMARK 525 HOH C 272 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH C 281 DISTANCE = 5.74 ANGSTROMS REMARK 525 HOH C 311 DISTANCE = 8.82 ANGSTROMS REMARK 525 HOH C 312 DISTANCE = 5.16 ANGSTROMS REMARK 525 HOH C 315 DISTANCE = 6.79 ANGSTROMS REMARK 525 HOH C 318 DISTANCE = 5.44 ANGSTROMS REMARK 525 HOH C 321 DISTANCE = 6.76 ANGSTROMS REMARK 525 HOH G1115 DISTANCE = 6.34 ANGSTROMS REMARK 525 HOH G1126 DISTANCE = 5.37 ANGSTROMS REMARK 525 HOH G1140 DISTANCE = 5.39 ANGSTROMS REMARK 525 HOH G1173 DISTANCE = 10.07 ANGSTROMS REMARK 525 HOH G1189 DISTANCE = 7.30 ANGSTROMS REMARK 525 HOH G1196 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH G1210 DISTANCE = 5.17 ANGSTROMS REMARK 525 HOH G1211 DISTANCE = 5.11 ANGSTROMS REMARK 525 HOH G1217 DISTANCE = 5.89 ANGSTROMS REMARK 525 HOH G1230 DISTANCE = 6.29 ANGSTROMS REMARK 525 HOH G1243 DISTANCE = 9.40 ANGSTROMS REMARK 525 HOH G1281 DISTANCE = 5.02 ANGSTROMS REMARK 525 HOH G1305 DISTANCE = 6.99 ANGSTROMS REMARK 525 HOH G1312 DISTANCE = 5.29 ANGSTROMS REMARK 525 HOH G1316 DISTANCE = 5.85 ANGSTROMS REMARK 525 HOH G1318 DISTANCE = 5.27 ANGSTROMS REMARK 525 HOH G1323 DISTANCE = 5.53 ANGSTROMS REMARK 525 HOH H 256 DISTANCE = 5.92 ANGSTROMS REMARK 525 HOH H 257 DISTANCE = 5.14 ANGSTROMS REMARK 525 HOH H 353 DISTANCE = 5.70 ANGSTROMS REMARK 525 HOH H 375 DISTANCE = 5.05 ANGSTROMS REMARK 525 HOH H 398 DISTANCE = 5.09 ANGSTROMS REMARK 525 HOH H 406 DISTANCE = 8.26 ANGSTROMS REMARK 525 HOH H 413 DISTANCE = 5.44 ANGSTROMS REMARK 525 HOH H 421 DISTANCE = 5.54 ANGSTROMS REMARK 525 HOH H 424 DISTANCE = 5.61 ANGSTROMS REMARK 525 HOH H 432 DISTANCE = 5.50 ANGSTROMS REMARK 525 HOH H 448 DISTANCE = 7.15 ANGSTROMS REMARK 525 HOH H 467 DISTANCE = 5.79 ANGSTROMS REMARK 525 HOH L 249 DISTANCE = 5.97 ANGSTROMS REMARK 525 HOH L 259 DISTANCE = 5.08 ANGSTROMS REMARK 525 HOH L 270 DISTANCE = 12.73 ANGSTROMS REMARK 525 HOH L 317 DISTANCE = 5.52 ANGSTROMS REMARK 525 HOH L 350 DISTANCE = 5.26 ANGSTROMS REMARK 525 HOH L 359 DISTANCE = 5.01 ANGSTROMS REMARK 525 HOH L 365 DISTANCE = 5.60 ANGSTROMS REMARK 525 HOH L 373 DISTANCE = 8.41 ANGSTROMS REMARK 525 HOH L 383 DISTANCE = 7.60 ANGSTROMS REMARK 525 HOH L 393 DISTANCE = 5.73 ANGSTROMS REMARK 525 HOH L 395 DISTANCE = 7.89 ANGSTROMS REMARK 525 HOH L 396 DISTANCE = 10.88 ANGSTROMS REMARK 525 HOH L 402 DISTANCE = 7.28 ANGSTROMS REMARK 525 HOH L 410 DISTANCE = 5.98 ANGSTROMS REMARK 525 HOH L 413 DISTANCE = 5.02 ANGSTROMS REMARK 525 HOH L 414 DISTANCE = 7.41 ANGSTROMS REMARK 525 HOH L 421 DISTANCE = 7.35 ANGSTROMS REMARK 525 HOH L 422 DISTANCE = 5.67 ANGSTROMS REMARK 525 HOH L 433 DISTANCE = 5.42 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NDG G 588 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 697 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NDG G 730 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 734 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NDG G 741 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 762 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 776 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 789 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 795 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FUC G 796 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 839 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 886 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 892 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 948 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG G 963 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FUC G 964 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPA G 1000 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1GC1 RELATED DB: PDB REMARK 900 THIS ENTRY IS THE 2.2 A REFINEMENT OF 1GC1 REMARK 900 RELATED ID: 1G9N RELATED DB: PDB REMARK 900 1G9N CONTAINS THE SAME TERNARY COMPLEX FROM A PRIMARY REMARK 900 ISOLATE