REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.1_357) 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 36.56 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.010 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 3 NUMBER OF REFLECTIONS : 46820 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.186 REMARK 3 R VALUE (WORKING SET) : 0.184 REMARK 3 FREE R VALUE : 0.212 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.240 REMARK 3 FREE R VALUE TEST SET COUNT : 2453 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 36.5671 - 4.7142 0.93 2377 134 0.1858 0.2175 REMARK 3 2 4.7142 - 3.7430 0.98 2479 135 0.1555 0.1831 REMARK 3 3 3.7430 - 3.2702 0.99 2486 139 0.1724 0.1840 REMARK 3 4 3.2702 - 2.9713 0.99 2482 137 0.1739 0.1949 REMARK 3 5 2.9713 - 2.7584 1.00 2478 136 0.1887 0.2206 REMARK 3 6 2.7584 - 2.5958 1.00 2512 142 0.1890 0.2290 REMARK 3 7 2.5958 - 2.4659 1.00 2490 135 0.1843 0.2086 REMARK 3 8 2.4659 - 2.3586 1.00 2468 142 0.1838 0.1953 REMARK 3 9 2.3586 - 2.2678 1.00 2494 135 0.1786 0.2441 REMARK 3 10 2.2678 - 2.1895 1.00 2447 141 0.1820 0.2247 REMARK 3 11 2.1895 - 2.1211 0.99 2489 139 0.1732 0.2106 REMARK 3 12 2.1211 - 2.0604 0.99 2480 137 0.1722 0.2046 REMARK 3 13 2.0604 - 2.0062 0.99 2446 139 0.1774 0.2399 REMARK 3 14 2.0062 - 1.9573 0.99 2449 139 0.1890 0.1950 REMARK 3 15 1.9573 - 1.9128 0.99 2448 126 0.1974 0.2455 REMARK 3 16 1.9128 - 1.8721 0.98 2469 128 0.2096 0.2804 REMARK 3 17 1.8721 - 1.8346 0.98 2448 134 0.2340 0.2849 REMARK 3 18 1.8346 - 1.8000 0.98 2425 135 0.2345 0.2692 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 : 0.40 REMARK 3 B_SOL : 59.74 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.230 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 28.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -5.50240 REMARK 3 B22 (A**2) : 5.26660 REMARK 3 B33 (A**2) : 0.23570 REMARK 3 B12 (A**2) : -0.00000 REMARK 3 B13 (A**2) : -5.05470 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 : 0.007 3525 REMARK 3 ANGLE : 1.094 4797 REMARK 3 CHIRALITY : 0.078 535 REMARK 3 PLANARITY : 0.004 610 REMARK 3 DIHEDRAL : 13.527 1278 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 4 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: CHAIN L AND RESSEQ 1:109 REMARK 3 ORIGIN FOR THE GROUP (A): 36.4467 5.6361 24.2537 REMARK 3 T TENSOR REMARK 3 T11: 0.2558 T22: 0.1717 REMARK 3 T33: 0.2102 T12: 0.0123 REMARK 3 T13: -0.0250 T23: -0.0166 REMARK 3 L TENSOR REMARK 3 L11: 1.9943 L22: 0.3901 REMARK 3 L33: 1.9929 L12: 0.1124 REMARK 3 L13: -0.0391 L23: -0.8698 REMARK 3 S TENSOR REMARK 3 S11: -0.0599 S12: -0.2335 S13: 0.1962 REMARK 3 S21: 0.2570 S22: 0.0219 S23: -0.1520 REMARK 3 S31: -0.1636 S32: 0.0038 S33: 0.0001 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: CHAIN L AND RESSEQ 110:214 REMARK 3 ORIGIN FOR THE GROUP (A): 9.1344 8.7031 0.4189 REMARK 3 T TENSOR REMARK 3 T11: 0.1539 T22: 0.1536 REMARK 3 T33: 0.1754 T12: 0.0061 REMARK 3 T13: 0.0130 T23: 0.0150 REMARK 3 L TENSOR REMARK 3 L11: 2.5157 L22: 1.2668 REMARK 3 L33: 0.4683 L12: -0.6711 REMARK 3 L13: 0.4119 L23: -0.3826 REMARK 3 S TENSOR REMARK 3 S11: -0.0281 S12: 0.2730 S13: 0.3313 REMARK 3 S21: -0.0628 S22: -0.0023 S23: 0.0416 REMARK 3 S31: -0.0464 S32: 0.0902 S33: 0.0000 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: CHAIN H AND RESSEQ 1:112 REMARK 3 ORIGIN FOR THE GROUP (A): 22.5403 -6.1926 36.7420 REMARK 3 T TENSOR REMARK 3 T11: 0.3326 T22: 0.4408 REMARK 3 T33: 0.2194 T12: -0.0136 REMARK 3 T13: -0.0023 T23: 0.1133 REMARK 3 L TENSOR REMARK 3 L11: 2.5881 L22: 0.6006 REMARK 3 L33: 1.6868 L12: 1.0182 REMARK 3 L13: 0.3303 L23: 0.0590 REMARK 3 S TENSOR REMARK 3 S11: 0.0642 S12: -0.8398 S13: -0.2964 REMARK 3 S21: 0.2434 S22: -0.0068 S23: -0.1055 REMARK 3 S31: 0.1320 S32: -0.3374 S33: 0.0008 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: CHAIN H AND RESSEQ 113:225 REMARK 3 ORIGIN FOR THE GROUP (A): 7.6533 -6.2905 1.3610 REMARK 3 T TENSOR REMARK 3 T11: 0.0881 T22: 0.0105 REMARK 3 T33: 0.1134 T12: -0.0025 REMARK 3 T13: -0.0090 T23: -0.0199 REMARK 3 L TENSOR REMARK 3 L11: 3.1835 L22: 1.2339 REMARK 3 L33: 0.8164 L12: 0.2837 REMARK 3 L13: 0.2363 L23: 0.7806 REMARK 3 S TENSOR REMARK 3 S11: 0.0548 S12: 0.2445 S13: -0.2434 REMARK 3 S21: -0.1981 S22: -0.0201 S23: 0.1512 REMARK 3 S31: 0.0202 S32: -0.0160 S33: -0.0000 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 3NAC COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-JUN-10. REMARK 100 THE RCSB ID CODE IS RCSB059579. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 17-MAR-10 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 17-ID 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 : ACCEL SI (111) DOUBLE CRYSTAL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : D*TREK REMARK 200 DATA SCALING SOFTWARE : D*TREK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 46820 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 46.800 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 200 DATA REDUNDANCY : 3.600 REMARK 200 R MERGE (I) : 0.08200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.8 REMARK 200 DATA REDUNDANCY IN SHELL : 3.60 REMARK 200 R MERGE FOR SHELL (I) : 0.39600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.200 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: PDB ENTRY 3NA9 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.68 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.71 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M SODIUM ACETATE, 12% PEG MME REMARK 280 5000, 0.2 M ZINC ACETATE, PH 6.0, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 293K 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 37.21850 REMARK 290 SMTRY3 2 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5640 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19630 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -234.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 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 ARG L 211 O HOH L 268 1.85 REMARK 500 O HOH L 295 O HOH L 357 1.91 REMARK 500 O HOH H 236 O HOH H 391 1.92 REMARK 500 O HOH L 423 O HOH H 286 1.92 REMARK 500 O HOH L 322 O HOH H 296 1.93 REMARK 500 O HOH L 222 O HOH L 425 1.96 REMARK 500 O HOH L 276 O HOH L 399 1.98 REMARK 500 O HOH H 246 O HOH H 399 1.98 REMARK 500 O HOH L 319 O HOH H 409 1.99 REMARK 500 O HOH L 352 O HOH L 361 2.01 REMARK 500 O HOH H 296 O HOH H 353 2.05 REMARK 500 O HOH L 267 O HOH H 334 2.06 REMARK 500 OG SER H 74 O HOH H 290 2.07 REMARK 500 O HOH H 295 O HOH H 302 2.08 REMARK 500 O HOH H 238 O HOH H 395 2.09 REMARK 500 O HOH L 346 O HOH H 309 2.11 REMARK 500 O HOH L 342 O HOH L 349 2.11 REMARK 500 O HOH H 371 O HOH H 378 2.15 REMARK 500 NH1 ARG L 142 O HOH L 338 2.16 REMARK 500 NH1 ARG L 142 O HOH L 277 2.16 REMARK 500 OE1 GLU L 187 O HOH L 418 2.18 REMARK 500 O HOH L 390 O HOH L 432 2.19 REMARK 500 O HOH H 418 O HOH H 424 2.19 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 323 O HOH H 258 1656 2.01 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 ALA L 51 -41.26 71.42 REMARK 500 ALA L 84 178.65 179.82 REMARK 500 ASP H 54 6.08 -150.02 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 ZN L 215 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP L 151 OD1 REMARK 620 2 ACT L 217 OXT 96.1 REMARK 620 3 HIS L 189 ND1 107.7 109.6 REMARK 620 4 ACT L 217 O 146.5 50.7 83.3 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN H 220 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH H 264 O REMARK 620 2 HOH H 353 O 96.1 REMARK 620 3 HOH H 343 O 94.7 165.9 REMARK 620 4 HOH H 296 O 134.9 56.1 109.8 REMARK 620 5 HOH L 322 O 178.1 85.3 84.1 47.0 REMARK 620 6 HIS H 217 NE2 95.1 87.5 82.6 53.6 86.3 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN H 218 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS L 214 O REMARK 620 2 HOH H 236 O 96.6 REMARK 620 3 HIS H 213 NE2 114.0 114.6 REMARK 620 4 HIS H 215 ND1 110.0 103.0 116.3 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN H 219 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS H 216 NE2 REMARK 620 2 HIS H 214 NE2 102.2 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN H 221 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS H 214 ND1 REMARK 620 2 HIS H 212 NE2 126.4 REMARK 620 3 HOH H 414 O 112.9 100.0 REMARK 620 4 HOH H 310 O 109.4 91.2 115.4 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN L 216 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH H 419 O REMARK 620 2 HIS H 164 NE2 107.9 REMARK 620 3 ASN L 137 OD1 80.4 109.6 REMARK 620 4 ASN L 138 OD1 167.9 84.1 94.2 REMARK 620 5 HOH H 286 O 97.8 83.1 167.2 85.0 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN H 222 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS H 66 NE2 REMARK 620 2 HOH H 411 O 157.3 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 ZN L 215 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN L 216 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT L 217 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL L 218 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN H 218 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN H 219 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN H 220 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN H 221 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN H 222 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL H 223 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL H 224 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3NCJ RELATED DB: PDB REMARK 900 RELATED ID: 3NAA RELATED DB: PDB REMARK 900 RELATED ID: 3NAB RELATED DB: PDB REMARK 900 RELATED ID: 3NA9 RELATED DB: PDB