HEADER DNA BINDING PROTEIN 01-NOV-10 3PGE
TITLE STRUCTURE OF SUMOYLATED PCNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SUMO-MODIFIED PROLIFERATING CELL NUCLEAR ANTIGEN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: SUMO-C FRAGMENT OF PCNA;
COMPND 5 ENGINEERED: YES;
COMPND 6 MOL_ID: 2;
COMPND 7 MOLECULE: PROLIFERATING CELL NUCLEAR ANTIGEN;
COMPND 8 CHAIN: B;
COMPND 9 FRAGMENT: N FRAGMENT OF PCNA;
COMPND 10 SYNONYM: PCNA;
COMPND 11 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 3 ORGANISM_COMMON: BREWER'S YEAST,LAGER BEER YEAST,YEAST;
SOURCE 4 ORGANISM_TAXID: 4932;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: ROSSETTA;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PETDUET-1;
SOURCE 10 MOL_ID: 2;
SOURCE 11 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 12 ORGANISM_COMMON: BREWER'S YEAST,LAGER BEER YEAST,YEAST;
SOURCE 13 ORGANISM_TAXID: 4932;
SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 15 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 16 EXPRESSION_SYSTEM_STRAIN: ROSSETTA;
SOURCE 17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 18 EXPRESSION_SYSTEM_PLASMID: PETDUET-1
KEYWDS DNA REPLICATION, DNA BINDING PROTEIN
EXPDTA X-RAY DIFFRACTION
AUTHOR B.D.FREUDENTHAL,J.E.BROGIE,L.GAKHAR,T.WASHINGTON
REVDAT 5 06-SEP-23 3PGE 1 SEQADV
REVDAT 4 02-AUG-17 3PGE 1 SOURCE REMARK
REVDAT 3 09-FEB-11 3PGE 1 JRNL
REVDAT 2 26-JAN-11 3PGE 1 JRNL
REVDAT 1 29-DEC-10 3PGE 0
JRNL AUTH B.D.FREUDENTHAL,J.E.BROGIE,L.GAKHAR,C.M.KONDRATICK,
JRNL AUTH 2 M.T.WASHINGTON
JRNL TITL CRYSTAL STRUCTURE OF SUMO-MODIFIED PROLIFERATING CELL
JRNL TITL 2 NUCLEAR ANTIGEN.
JRNL REF J.MOL.BIOL. V. 406 9 2011
JRNL REFN ISSN 0022-2836
JRNL PMID 21167178
JRNL DOI 10.1016/J.JMB.2010.12.015
REMARK 2
REMARK 2 RESOLUTION. 2.80 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.4_486)
REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN
REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,
REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,
REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,
REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON,
REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,
REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT
REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART
REMARK 3
REMARK 3 REFINEMENT TARGET : ML
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 45.40
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 2.340
REMARK 3 COMPLETENESS FOR RANGE (%) : 98.9
REMARK 3 NUMBER OF REFLECTIONS : 20836
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.232
REMARK 3 R VALUE (WORKING SET) : 0.231
REMARK 3 FREE R VALUE : 0.253
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.140
REMARK 3 FREE R VALUE TEST SET COUNT : 1071
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 45.4442 - 5.5973 0.97 2642 122 0.2192 0.2122
REMARK 3 2 5.5973 - 4.4439 0.99 2522 127 0.1930 0.2119
REMARK 3 3 4.4439 - 3.8825 0.99 2454 134 0.2129 0.2375
REMARK 3 4 3.8825 - 3.5277 0.99 2444 145 0.2368 0.2957
REMARK 3 5 3.5277 - 3.2749 1.00 2426 153 0.2456 0.3161
REMARK 3 6 3.2749 - 3.0819 0.99 2436 138 0.2762 0.3089
REMARK 3 7 3.0819 - 2.9276 1.00 2426 125 0.3277 0.3581
REMARK 3 8 2.9276 - 2.8000 0.99 2411 127 0.3942 0.4099
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL
REMARK 3 SOLVENT RADIUS : 1.30
REMARK 3 SHRINKAGE RADIUS : 1.06
REMARK 3 K_SOL : 0.31
REMARK 3 B_SOL : 56.51
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.320
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 78.70
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 0.00000
REMARK 3 B22 (A**2) : 0.00000
REMARK 3 B33 (A**2) : 0.00000
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 : 0.012 2666
REMARK 3 ANGLE : 1.450 3589
REMARK 3 CHIRALITY : 0.092 417
REMARK 3 PLANARITY : 0.006 464
REMARK 3 DIHEDRAL : 18.582 1006
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 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 3PGE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-NOV-10.
REMARK 100 THE DEPOSITION ID IS D_1000062344.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 06-OCT-10
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 5.6
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : ALS
REMARK 200 BEAMLINE : 4.2.2
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.97
REMARK 200 MONOCHROMATOR : SAGGITALLY FOCUSED MIRRORS
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : NOIR-1
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : D*TREK
REMARK 200 DATA SCALING SOFTWARE : D*TREK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20836
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800
REMARK 200 RESOLUTION RANGE LOW (A) : 45.438
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0
REMARK 200 DATA REDUNDANCY : 12.60
REMARK 200 R MERGE (I) : 0.08900
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 14.8000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.90
REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5
REMARK 200 DATA REDUNDANCY IN SHELL : 8.83
REMARK 200 R MERGE FOR SHELL (I) : 0.43300
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 4.400
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 1PLQ
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 74.45
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.81
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 2.0M AMMONIUM SULFATE, 0.1M SODIUM
REMARK 280 CITRATE, PH 5.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 4 3 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,Z
REMARK 290 3555 -X,Y,-Z
REMARK 290 4555 X,-Y,-Z
REMARK 290 5555 Z,X,Y
REMARK 290 6555 Z,-X,-Y
REMARK 290 7555 -Z,-X,Y
REMARK 290 8555 -Z,X,-Y
REMARK 290 9555 Y,Z,X
REMARK 290 10555 -Y,Z,-X
REMARK 290 11555 Y,-Z,-X
REMARK 290 12555 -Y,-Z,X
REMARK 290 13555 Y,X,-Z
REMARK 290 14555 -Y,-X,-Z
REMARK 290 15555 Y,-X,Z
REMARK 290 16555 -Y,X,Z
REMARK 290 17555 X,Z,-Y
REMARK 290 18555 -X,Z,Y
REMARK 290 19555 -X,-Z,-Y
REMARK 290 20555 X,-Z,Y
REMARK 290 21555 Z,Y,-X
REMARK 290 22555 Z,-Y,X
REMARK 290 23555 -Z,Y,X
REMARK 290 24555 -Z,-Y,-X
REMARK 290 25555 X,Y+1/2,Z+1/2
REMARK 290 26555 -X,-Y+1/2,Z+1/2
REMARK 290 27555 -X,Y+1/2,-Z+1/2
REMARK 290 28555 X,-Y+1/2,-Z+1/2
REMARK 290 29555 Z,X+1/2,Y+1/2
REMARK 290 30555 Z,-X+1/2,-Y+1/2
REMARK 290 31555 -Z,-X+1/2,Y+1/2
REMARK 290 32555 -Z,X+1/2,-Y+1/2
REMARK 290 33555 Y,Z+1/2,X+1/2
REMARK 290 34555 -Y,Z+1/2,-X+1/2
REMARK 290 35555 Y,-Z+1/2,-X+1/2
REMARK 290 36555 -Y,-Z+1/2,X+1/2
REMARK 290 37555 Y,X+1/2,-Z+1/2
REMARK 290 38555 -Y,-X+1/2,-Z+1/2
REMARK 290 39555 Y,-X+1/2,Z+1/2
REMARK 290 40555 -Y,X+1/2,Z+1/2
REMARK 290 41555 X,Z+1/2,-Y+1/2
REMARK 290 42555 -X,Z+1/2,Y+1/2
REMARK 290 43555 -X,-Z+1/2,-Y+1/2
REMARK 290 44555 X,-Z+1/2,Y+1/2
REMARK 290 45555 Z,Y+1/2,-X+1/2
REMARK 290 46555 Z,-Y+1/2,X+1/2
REMARK 290 47555 -Z,Y+1/2,X+1/2
REMARK 290 48555 -Z,-Y+1/2,-X+1/2
REMARK 290 49555 X+1/2,Y,Z+1/2
REMARK 290 50555 -X+1/2,-Y,Z+1/2
REMARK 290 51555 -X+1/2,Y,-Z+1/2
REMARK 290 52555 X+1/2,-Y,-Z+1/2
REMARK 290 53555 Z+1/2,X,Y+1/2
REMARK 290 54555 Z+1/2,-X,-Y+1/2
REMARK 290 55555 -Z+1/2,-X,Y+1/2
REMARK 290 56555 -Z+1/2,X,-Y+1/2
REMARK 290 57555 Y+1/2,Z,X+1/2
REMARK 290 58555 -Y+1/2,Z,-X+1/2
REMARK 290 59555 Y+1/2,-Z,-X+1/2
REMARK 290 60555 -Y+1/2,-Z,X+1/2
REMARK 290 61555 Y+1/2,X,-Z+1/2
REMARK 290 62555 -Y+1/2,-X,-Z+1/2
REMARK 290 63555 Y+1/2,-X,Z+1/2
REMARK 290 64555 -Y+1/2,X,Z+1/2
REMARK 290 65555 X+1/2,Z,-Y+1/2
REMARK 290 66555 -X+1/2,Z,Y+1/2
REMARK 290 67555 -X+1/2,-Z,-Y+1/2
REMARK 290 68555 X+1/2,-Z,Y+1/2
REMARK 290 69555 Z+1/2,Y,-X+1/2
REMARK 290 70555 Z+1/2,-Y,X+1/2
REMARK 290 71555 -Z+1/2,Y,X+1/2
REMARK 290 72555 -Z+1/2,-Y,-X+1/2
REMARK 290 73555 X+1/2,Y+1/2,Z
REMARK 290 74555 -X+1/2,-Y+1/2,Z
REMARK 290 75555 -X+1/2,Y+1/2,-Z
REMARK 290 76555 X+1/2,-Y+1/2,-Z
REMARK 290 77555 Z+1/2,X+1/2,Y
REMARK 290 78555 Z+1/2,-X+1/2,-Y
REMARK 290 79555 -Z+1/2,-X+1/2,Y
REMARK 290 80555 -Z+1/2,X+1/2,-Y
REMARK 290 81555 Y+1/2,Z+1/2,X
REMARK 290 82555 -Y+1/2,Z+1/2,-X
REMARK 290 83555 Y+1/2,-Z+1/2,-X
REMARK 290 84555 -Y+1/2,-Z+1/2,X
REMARK 290 85555 Y+1/2,X+1/2,-Z
REMARK 290 86555 -Y+1/2,-X+1/2,-Z
REMARK 290 87555 Y+1/2,-X+1/2,Z
REMARK 290 88555 -Y+1/2,X+1/2,Z
REMARK 290 89555 X+1/2,Z+1/2,-Y
REMARK 290 90555 -X+1/2,Z+1/2,Y
REMARK 290 91555 -X+1/2,-Z+1/2,-Y
REMARK 290 92555 X+1/2,-Z+1/2,Y
REMARK 290 93555 Z+1/2,Y+1/2,-X
REMARK 290 94555 Z+1/2,-Y+1/2,X
REMARK 290 95555 -Z+1/2,Y+1/2,X
REMARK 290 96555 -Z+1/2,-Y+1/2,-X
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 0.00000
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 0.00000
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 SMTRY1 5 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 25 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 25 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY3 25 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY1 26 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 26 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY3 26 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY1 27 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 27 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY3 27 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY1 28 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 28 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY3 28 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY1 29 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 29 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 29 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY1 30 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 30 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 30 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY1 31 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 31 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 31 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY1 32 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 32 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 32 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY1 33 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 33 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY3 33 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 34 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 34 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY3 34 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 35 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 35 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY3 35 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 36 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 36 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY3 36 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 37 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 37 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 37 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY1 38 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 38 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 38 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY1 39 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 39 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 39 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY1 40 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 40 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 40 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY1 41 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 41 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY3 41 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY1 42 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 42 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY3 42 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY1 43 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 43 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY3 43 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY1 44 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 44 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY3 44 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY1 45 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 45 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY3 45 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 46 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 46 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY3 46 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 47 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 47 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY3 47 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 48 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 48 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY3 48 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 49 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 49 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 49 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY1 50 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 50 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 50 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY1 51 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 51 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 51 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY1 52 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 52 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 52 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY1 53 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY2 53 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 53 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY1 54 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY2 54 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 54 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY1 55 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY2 55 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 55 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY1 56 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY2 56 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 56 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY1 57 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY2 57 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 57 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 58 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY2 58 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 58 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 59 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY2 59 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 59 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 60 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY2 60 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 60 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 61 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY2 61 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 61 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY1 62 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY2 62 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 62 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY1 63 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY2 63 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 63 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY1 64 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY2 64 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 64 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY1 65 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 65 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 65 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY1 66 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 66 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 66 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY1 67 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 67 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 67 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY1 68 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 68 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 68 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY1 69 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY2 69 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 69 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 70 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY2 70 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 70 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 71 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY2 71 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 71 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 72 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY2 72 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 72 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY1 73 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 73 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY3 73 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 74 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 74 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY3 74 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 75 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 75 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY3 75 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 76 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 76 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY3 76 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 77 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY2 77 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 77 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 78 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY2 78 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 78 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 79 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY2 79 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 79 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 80 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY2 80 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 80 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 81 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY2 81 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY3 81 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 82 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY2 82 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY3 82 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 83 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY2 83 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY3 83 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 84 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY2 84 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY3 84 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 85 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY2 85 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 85 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 86 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY2 86 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 86 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 87 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY2 87 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 87 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 88 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY2 88 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY3 88 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 89 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 89 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY3 89 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 90 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 90 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY3 90 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 91 -1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 91 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY3 91 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 92 1.000000 0.000000 0.000000 134.40800
REMARK 290 SMTRY2 92 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY3 92 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 93 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY2 93 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY3 93 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 94 0.000000 0.000000 1.000000 134.40800
REMARK 290 SMTRY2 94 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY3 94 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 95 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY2 95 0.000000 1.000000 0.000000 134.40800
REMARK 290 SMTRY3 95 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 96 0.000000 0.000000 -1.000000 134.40800
REMARK 290 SMTRY2 96 0.000000 -1.000000 0.000000 134.40800
REMARK 290 SMTRY3 96 -1.000000 0.000000 0.000000 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: 5750 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 17560 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -39.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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 HIS A -5
REMARK 465 HIS A -4
REMARK 465 HIS A -3
REMARK 465 HIS A -2
REMARK 465 HIS A -1
REMARK 465 HIS A 0
REMARK 465 MET A 1
REMARK 465 SER A 2
REMARK 465 ASP A 3
REMARK 465 SER A 4
REMARK 465 GLU A 5
REMARK 465 VAL A 6
REMARK 465 ASN A 7
REMARK 465 GLN A 8
REMARK 465 GLU A 9
REMARK 465 ALA A 10
REMARK 465 LYS A 11
REMARK 465 PRO A 12
REMARK 465 GLU A 13
REMARK 465 VAL A 14
REMARK 465 LYS A 15
REMARK 465 PRO A 16
REMARK 465 GLU A 17
REMARK 465 VAL A 18
REMARK 465 GLY A 99
REMARK 465 ASP A 192
REMARK 465 GLU A 193
REMARK 465 GLU A 194
REMARK 465 ASP B -7
REMARK 465 TYR B -6
REMARK 465 LYS B -5
REMARK 465 ASP B -4
REMARK 465 ASP B -3
REMARK 465 ASP B -2
REMARK 465 ASP B -1
REMARK 465 LYS B 0
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 THR A 22 -8.57 68.66
REMARK 500 GLN A 95 -127.17 -108.28
REMARK 500 ILE A 96 -65.40 -107.72
REMARK 500 CYS B 81 -71.98 -76.80
REMARK 500 ASN B 83 -16.65 63.83
REMARK 500 ASN B 84 16.62 47.12
REMARK 500 LYS B 108 11.10 -64.17
REMARK 500 ASP B 124 -159.38 54.04
REMARK 500 ILE B 128 150.92 80.67
REMARK 500 LEU B 131 12.50 -151.97
REMARK 500 GLN B 132 167.06 68.27
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 3L0X RELATED DB: PDB
REMARK 900 STRUCTURE OF SPLIT PCNA
DBREF 3PGE A 1 98 UNP Q12306 SMT3_YEAST 1 98
DBREF 3PGE A 101 194 UNP P15873 PCNA_YEAST 165 258
DBREF 3PGE B 1 163 UNP P15873 PCNA_YEAST 1 163
SEQADV 3PGE HIS A -5 UNP Q12306 EXPRESSION TAG
SEQADV 3PGE HIS A -4 UNP Q12306 EXPRESSION TAG
SEQADV 3PGE HIS A -3 UNP Q12306 EXPRESSION TAG
SEQADV 3PGE HIS A -2 UNP Q12306 EXPRESSION TAG
SEQADV 3PGE HIS A -1 UNP Q12306 EXPRESSION TAG
SEQADV 3PGE HIS A 0 UNP Q12306 EXPRESSION TAG
SEQADV 3PGE GLY A 99 UNP Q12306 LINKER
SEQADV 3PGE GLY A 100 UNP Q12306 LINKER
SEQADV 3PGE ASP B -7 UNP P15873 EXPRESSION TAG
SEQADV 3PGE TYR B -6 UNP P15873 EXPRESSION TAG
SEQADV 3PGE LYS B -5 UNP P15873 EXPRESSION TAG
SEQADV 3PGE ASP B -4 UNP P15873 EXPRESSION TAG
SEQADV 3PGE ASP B -3 UNP P15873 EXPRESSION TAG
SEQADV 3PGE ASP B -2 UNP P15873 EXPRESSION TAG
SEQADV 3PGE ASP B -1 UNP P15873 EXPRESSION TAG
SEQADV 3PGE LYS B 0 UNP P15873 EXPRESSION TAG
SEQRES 1 A 200 HIS HIS HIS HIS HIS HIS MET SER ASP SER GLU VAL ASN
SEQRES 2 A 200 GLN GLU ALA LYS PRO GLU VAL LYS PRO GLU VAL LYS PRO
SEQRES 3 A 200 GLU THR HIS ILE ASN LEU LYS VAL SER ASP GLY SER SER
SEQRES 4 A 200 GLU ILE PHE PHE LYS ILE LYS LYS THR THR PRO LEU ARG
SEQRES 5 A 200 ARG LEU MET GLU ALA PHE ALA LYS ARG GLN GLY LYS GLU
SEQRES 6 A 200 MET ASP SER LEU ARG PHE LEU TYR ASP GLY ILE ARG ILE
SEQRES 7 A 200 GLN ALA ASP GLN THR PRO GLU ASP LEU ASP MET GLU ASP
SEQRES 8 A 200 ASN ASP ILE ILE GLU ALA HIS ARG GLU GLN ILE GLY GLY
SEQRES 9 A 200 GLY GLY GLU THR ILE LYS PHE VAL ALA ASP GLY ASP ILE
SEQRES 10 A 200 GLY SER GLY SER VAL ILE ILE LYS PRO PHE VAL ASP MET
SEQRES 11 A 200 GLU HIS PRO GLU THR SER ILE LYS LEU GLU MET ASP GLN
SEQRES 12 A 200 PRO VAL ASP LEU THR PHE GLY ALA LYS TYR LEU LEU ASP
SEQRES 13 A 200 ILE ILE LYS GLY SER SER LEU SER ASP ARG VAL GLY ILE
SEQRES 14 A 200 ARG LEU SER SER GLU ALA PRO ALA LEU PHE GLN PHE ASP
SEQRES 15 A 200 LEU LYS SER GLY PHE LEU GLN PHE PHE LEU ALA PRO LYS
SEQRES 16 A 200 PHE ASN ASP GLU GLU
SEQRES 1 B 171 ASP TYR LYS ASP ASP ASP ASP LYS MET LEU GLU ALA LYS
SEQRES 2 B 171 PHE GLU GLU ALA SER LEU PHE LYS ARG ILE ILE ASP GLY
SEQRES 3 B 171 PHE LYS ASP CYS VAL GLN LEU VAL ASN PHE GLN CYS LYS
SEQRES 4 B 171 GLU ASP GLY ILE ILE ALA GLN ALA VAL ASP ASP SER ARG
SEQRES 5 B 171 VAL LEU LEU VAL SER LEU GLU ILE GLY VAL GLU ALA PHE
SEQRES 6 B 171 GLN GLU TYR ARG CYS ASP HIS PRO VAL THR LEU GLY MET
SEQRES 7 B 171 ASP LEU THR SER LEU SER LYS ILE LEU ARG CYS GLY ASN
SEQRES 8 B 171 ASN THR ASP THR LEU THR LEU ILE ALA ASP ASN THR PRO
SEQRES 9 B 171 ASP SER ILE ILE LEU LEU PHE GLU ASP THR LYS LYS ASP
SEQRES 10 B 171 ARG ILE ALA GLU TYR SER LEU LYS LEU MET ASP ILE ASP
SEQRES 11 B 171 ALA ASP PHE LEU LYS ILE GLU GLU LEU GLN TYR ASP SER
SEQRES 12 B 171 THR LEU SER LEU PRO SER SER GLU PHE SER LYS ILE VAL
SEQRES 13 B 171 ARG ASP LEU SER GLN LEU SER ASP SER ILE ASN ILE MET
SEQRES 14 B 171 ILE THR
HELIX 1 1 LEU A 45 GLY A 57 1 13
HELIX 2 2 GLU A 59 ASP A 61 5 3
HELIX 3 3 ALA A 145 ILE A 152 1 8
HELIX 4 4 LYS A 153 SER A 158 5 6
HELIX 5 5 GLU B 8 LYS B 20 1 13
HELIX 6 6 GLU B 55 PHE B 57 5 3
HELIX 7 7 LEU B 72 LEU B 79 1 8
HELIX 8 8 SER B 141 SER B 152 1 12
SHEET 1 A 5 GLU A 34 ILE A 39 0
SHEET 2 A 5 ILE A 24 SER A 29 -1 N ILE A 24 O ILE A 39
SHEET 3 A 5 ASP A 87 ARG A 93 1 O ALA A 91 N SER A 29
SHEET 4 A 5 LEU A 63 TYR A 67 -1 N ARG A 64 O HIS A 92
SHEET 5 A 5 ILE A 70 ARG A 71 -1 O ILE A 70 N TYR A 67
SHEET 1 B 4 SER A 113 ILE A 118 0
SHEET 2 B 4 THR A 102 ASP A 108 -1 N ALA A 107 O GLY A 114
SHEET 3 B 4 SER B 157 THR B 163 -1 O ASN B 159 N VAL A 106
SHEET 4 B 4 VAL A 139 GLY A 144 -1 N LEU A 141 O ILE B 160
SHEET 1 C 9 LYS A 132 MET A 135 0
SHEET 2 C 9 SER B 135 PRO B 140 -1 O THR B 136 N GLU A 134
SHEET 3 C 9 ARG A 160 LEU A 165 -1 N LEU A 165 O SER B 135
SHEET 4 C 9 ALA A 171 LEU A 177 -1 O GLN A 174 N GLY A 162
SHEET 5 C 9 GLY A 180 LEU A 186 -1 O LEU A 182 N PHE A 175
SHEET 6 C 9 LEU B 46 GLY B 53 -1 O SER B 49 N GLN A 183
SHEET 7 C 9 GLY B 34 VAL B 40 -1 N ALA B 37 O LEU B 50
SHEET 8 C 9 LEU B 25 LYS B 31 -1 N GLN B 29 O ILE B 36
SHEET 9 C 9 VAL B 66 ASP B 71 -1 O VAL B 66 N CYS B 30
SHEET 1 D 5 GLU B 59 CYS B 62 0
SHEET 2 D 5 LEU B 2 PHE B 6 -1 N GLU B 3 O ARG B 61
SHEET 3 D 5 THR B 87 ALA B 92 -1 O LEU B 88 N PHE B 6
SHEET 4 D 5 SER B 98 GLU B 104 -1 O ILE B 100 N ILE B 91
SHEET 5 D 5 ILE B 111 LYS B 117 -1 O TYR B 114 N LEU B 101
CISPEP 1 ILE A 96 GLY A 97 0 9.10
CRYST1 268.816 268.816 268.816 90.00 90.00 90.00 F 4 3 2 96
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.003720 0.000000 0.000000 0.00000
SCALE2 0.000000 0.003720 0.000000 0.00000
SCALE3 0.000000 0.000000 0.003720 0.00000
(ATOM LINES ARE NOT SHOWN.)
END
