HEADER TRANSFERASE 26-MAY-98 1E2O
TITLE CATALYTIC DOMAIN FROM DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: CATALYTIC DOMAIN, RESIDUES 172 - 404;
COMPND 5 SYNONYM: E2O;
COMPND 6 EC: 2.3.1.61;
COMPND 7 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 ORGANISM_TAXID: 562;
SOURCE 4 GENE: SUCB;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: JM101;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: BACTERIAL;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T
KEYWDS TRANSFERASE, ACYLTRANSFERASE, KETOGLUTARATE DEHYDROGENASE MULTIENZYME
KEYWDS 2 COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR J.E.KNAPP,D.T.MITCHELL,M.A.YAZDI,S.R.ERNST,L.J.REED,M.L.HACKERT
REVDAT 5 09-AUG-23 1E2O 1 REMARK
REVDAT 4 13-JUL-11 1E2O 1 VERSN
REVDAT 3 24-FEB-09 1E2O 1 VERSN
REVDAT 2 20-JAN-99 1E2O 3 ATOM SOURCE COMPND REMARK
REVDAT 2 2 3 HETATM JRNL KEYWDS HEADER
REVDAT 2 3 3 CONECT
REVDAT 1 02-DEC-98 1E2O 0
JRNL AUTH J.E.KNAPP,D.T.MITCHELL,M.A.YAZDI,S.R.ERNST,L.J.REED,
JRNL AUTH 2 M.L.HACKERT
JRNL TITL CRYSTAL STRUCTURE OF THE TRUNCATED CUBIC CORE COMPONENT OF
JRNL TITL 2 THE ESCHERICHIA COLI 2-OXOGLUTARATE DEHYDROGENASE
JRNL TITL 3 MULTIENZYME COMPLEX.
JRNL REF J.MOL.BIOL. V. 280 655 1998
JRNL REFN ISSN 0022-2836
JRNL PMID 9677295
JRNL DOI 10.1006/JMBI.1998.1924
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH A.MATTEVI,G.OBMOLOVA,E.SCHULZE,K.H.KALK,A.H.WESTPHAL,
REMARK 1 AUTH 2 A.DE KOK,W.G.HOL
REMARK 1 TITL ATOMIC STRUCTURE OF THE CUBIC CORE OF THE PYRUVATE
REMARK 1 TITL 2 DEHYDROGENASE MULTIENZYME COMPLEX
REMARK 1 REF SCIENCE V. 255 1544 1992
REMARK 1 REFN ISSN 0036-8075
REMARK 1 REFERENCE 2
REMARK 1 AUTH M.E.SPENCER,M.G.DARLISON,P.E.STEPHENS,I.K.DUCKENFIELD,
REMARK 1 AUTH 2 J.R.GUEST
REMARK 1 TITL NUCLEOTIDE SEQUENCE OF THE SUCB GENE ENCODING THE
REMARK 1 TITL 2 DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE OF ESCHERICHIA COLI K12
REMARK 1 TITL 3 AND HOMOLOGY WITH THE CORRESPONDING ACETYLTRANSFERASE
REMARK 1 REF EUR.J.BIOCHEM. V. 141 361 1984
REMARK 1 REFN ISSN 0014-2956
REMARK 1 REFERENCE 3
REMARK 1 AUTH D.J.DEROSIER,R.M.OLIVER,L.J.REED
REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY STRUCTURAL ANALYSIS OF
REMARK 1 TITL 2 DIHYDROLIPOYL TRANSSUCCINYLASE, THE CORE OF THE
REMARK 1 TITL 3 2-OXOGLUTARATE DEHYDROGENASE COMPLEX
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 68 1135 1971
REMARK 1 REFN ISSN 0027-8424
REMARK 2
REMARK 2 RESOLUTION. 3.00 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.00
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000
REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.4
REMARK 3 NUMBER OF REFLECTIONS : 9696
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) : 0.205
REMARK 3 FREE R VALUE : 0.249
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.300
REMARK 3 FREE R VALUE TEST SET COUNT : 1001
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 6
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 3.00
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.19
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.10
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1397
REMARK 3 BIN R VALUE (WORKING SET) : 0.2610
REMARK 3 BIN FREE R VALUE : 0.3410
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.40
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 145
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.028
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 1726
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 5
REMARK 3 SOLVENT ATOMS : 16
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 33.60
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 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.30
REMARK 3 ESD FROM SIGMAA (A) : 0.40
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) : 0.37
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.51
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.010
REMARK 3 BOND ANGLES (DEGREES) : 1.500
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.70
REMARK 3 IMPROPER ANGLES (DEGREES) : 1.370
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : GROUP
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
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 : PARHCSDX.PRO
REMARK 3 PARAMETER FILE 2 : PARAM19.SOL
REMARK 3 PARAMETER FILE 3 : SO4.PAR
REMARK 3 PARAMETER FILE 4 : NULL
REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO
REMARK 3 TOPOLOGY FILE 2 : TOPH19.SOL
REMARK 3 TOPOLOGY FILE 3 : SO4.TOP
REMARK 3 TOPOLOGY FILE 4 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL AND RESOLUTION
REMARK 3 -DEPENDENT WEIGHTING SCHEME USED.
REMARK 4
REMARK 4 1E2O COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000172977.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : MAR-94
REMARK 200 TEMPERATURE (KELVIN) : 298
REMARK 200 PH : 7.0
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : SSRL
REMARK 200 BEAMLINE : BL7-1
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.08
REMARK 200 MONOCHROMATOR : SI(111)
REMARK 200 OPTICS : MIRRORS
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM
REMARK 200 DATA SCALING SOFTWARE : CCP4 (ROTAVATA, AGROVATA
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9906
REMARK 200 RESOLUTION RANGE HIGH (A) : 3.000
REMARK 200 RESOLUTION RANGE LOW (A) : 20.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 3.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 98.5
REMARK 200 DATA REDUNDANCY : 4.100
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : 0.04600
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 13.0000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.00
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.16
REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0
REMARK 200 DATA REDUNDANCY IN SHELL : 4.50
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : 0.14500
REMARK 200 <I/SIGMA(I)> FOR SHELL : 4.900
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: X-PLOR 3.851
REMARK 200 STARTING MODEL: PDB ENTRY 1EAA
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 72.00
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.40
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM 1.2M
REMARK 280 AMMONIUM SULFATE, 1% ETHANOL, 50 MM POTASSIUM PHOSPHATE, PH 7.0
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 111.40000
REMARK 290 SMTRY3 25 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY1 26 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 26 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY3 26 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY1 27 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 27 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY3 27 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY1 28 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 28 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY3 28 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY1 29 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 29 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 29 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY1 30 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 30 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 30 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY1 31 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 31 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 31 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY1 32 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 32 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 32 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY1 33 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 33 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY3 33 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 34 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 34 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY3 34 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 35 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 35 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY3 35 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 36 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 36 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY3 36 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 37 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 37 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 37 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY1 38 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 38 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 38 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY1 39 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 39 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 39 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY1 40 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 40 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 40 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY1 41 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 41 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY3 41 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY1 42 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 42 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY3 42 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY1 43 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 43 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY3 43 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY1 44 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 44 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY3 44 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY1 45 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 45 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY3 45 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 46 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 46 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY3 46 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 47 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 47 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY3 47 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 48 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 48 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY3 48 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 49 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 49 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 49 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY1 50 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 50 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 50 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY1 51 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 51 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 51 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY1 52 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 52 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 52 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY1 53 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY2 53 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 53 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY1 54 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY2 54 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 54 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY1 55 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY2 55 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 55 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY1 56 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY2 56 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 56 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY1 57 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY2 57 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 57 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 58 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY2 58 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 58 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 59 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY2 59 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 59 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 60 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY2 60 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 60 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 61 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY2 61 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 61 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY1 62 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY2 62 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 62 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY1 63 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY2 63 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 63 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY1 64 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY2 64 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 64 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY1 65 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 65 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 65 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY1 66 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 66 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 66 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY1 67 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 67 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 67 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY1 68 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 68 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 68 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY1 69 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY2 69 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 69 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 70 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY2 70 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 70 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 71 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY2 71 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 71 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 72 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY2 72 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 72 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY1 73 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 73 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY3 73 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 74 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 74 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY3 74 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 75 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 75 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY3 75 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 76 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 76 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY3 76 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 77 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY2 77 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 77 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 78 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY2 78 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 78 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 79 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY2 79 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 79 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 80 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY2 80 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 80 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 81 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY2 81 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY3 81 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 82 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY2 82 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY3 82 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 83 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY2 83 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY3 83 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 84 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY2 84 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY3 84 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 85 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY2 85 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 85 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 86 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY2 86 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 86 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 87 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY2 87 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 87 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 88 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY2 88 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY3 88 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 89 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 89 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY3 89 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 90 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 90 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY3 90 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 91 -1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 91 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY3 91 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 92 1.000000 0.000000 0.000000 111.40000
REMARK 290 SMTRY2 92 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY3 92 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 93 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY2 93 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY3 93 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 94 0.000000 0.000000 1.000000 111.40000
REMARK 290 SMTRY2 94 0.000000 -1.000000 0.000000 111.40000
REMARK 290 SMTRY3 94 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 95 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY2 95 0.000000 1.000000 0.000000 111.40000
REMARK 290 SMTRY3 95 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 96 0.000000 0.000000 -1.000000 111.40000
REMARK 290 SMTRY2 96 0.000000 -1.000000 0.000000 111.40000
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: 24-MERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: 24-MERIC
REMARK 350 SOFTWARE USED: PISA,PQS
REMARK 350 TOTAL BURIED SURFACE AREA: 86500 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 219200 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -561.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
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 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 3 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 3 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT1 4 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 4 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT1 5 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT2 5 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT3 5 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT1 6 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT2 6 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT3 6 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT1 7 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT2 7 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT3 7 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT1 8 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT2 8 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT3 8 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT1 9 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT2 9 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT3 9 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT1 10 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT2 10 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT3 10 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT1 11 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT2 11 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT3 11 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT1 12 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT2 12 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT3 12 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT1 13 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT2 13 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT3 13 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT1 14 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT2 14 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT3 14 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT1 15 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT2 15 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT3 15 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 16 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT2 16 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT3 16 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 17 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 17 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT3 17 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT1 18 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 18 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT3 18 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT1 19 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 19 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT3 19 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT1 20 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 20 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT3 20 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT1 21 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT2 21 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 21 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT1 22 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT2 22 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT3 22 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT1 23 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT2 23 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 23 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT1 24 0.000000 0.000000 -1.000000 0.00000
REMARK 350 BIOMT2 24 0.000000 -1.000000 0.000000 0.00000
REMARK 350 BIOMT3 24 -1.000000 0.000000 0.000000 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 PRO A 275
REMARK 465 ARG A 276
REMARK 465 ARG A 306
REMARK 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 470 I=INSERTION CODE):
REMARK 470 M RES CSSEQI ATOMS
REMARK 470 LYS A 176 CE NZ
REMARK 470 THR A 181 OG1 CG2
REMARK 470 ARG A 182 CD NE CZ NH1 NH2
REMARK 470 LEU A 183 CB CG CD1 CD2
REMARK 470 ARG A 184 CG CD NE CZ NH1 NH2
REMARK 470 ARG A 186 CG CD NE CZ NH1 NH2
REMARK 470 GLU A 189 CG CD OE1 OE2
REMARK 470 ARG A 190 CG CD NE CZ NH1 NH2
REMARK 470 LYS A 217 CD CE NZ
REMARK 470 LYS A 225 CD CE NZ
REMARK 470 GLU A 250 OE1 OE2
REMARK 470 ASP A 258 CB CG OD1 OD2
REMARK 470 THR A 274 OG1 CG2
REMARK 470 LYS A 297 CG CD CE NZ
REMARK 470 LYS A 299 CE NZ
REMARK 470 ASP A 307 CG OD1 OD2
REMARK 470 GLU A 313 CB CG CD OE1 OE2
REMARK 470 ARG A 381 CD NE CZ NH1 NH2
REMARK 470 GLU A 382 CG CD OE1 OE2
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 A 199 64.17 -107.34
REMARK 500 THR A 280 76.41 -103.61
REMARK 500 ASP A 396 82.94 -162.62
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 421
DBREF 1E2O A 172 404 UNP P07016 ODO2_ECOLI 172 404
SEQRES 1 A 233 ALA ARG SER GLU LYS ARG VAL PRO MET THR ARG LEU ARG
SEQRES 2 A 233 LYS ARG VAL ALA GLU ARG LEU LEU GLU ALA LYS ASN SER
SEQRES 3 A 233 THR ALA MET LEU THR THR PHE ASN GLU VAL ASN MET LYS
SEQRES 4 A 233 PRO ILE MET ASP LEU ARG LYS GLN TYR GLY GLU ALA PHE
SEQRES 5 A 233 GLU LYS ARG HIS GLY ILE ARG LEU GLY PHE MET SER PHE
SEQRES 6 A 233 TYR VAL LYS ALA VAL VAL GLU ALA LEU LYS ARG TYR PRO
SEQRES 7 A 233 GLU VAL ASN ALA SER ILE ASP GLY ASP ASP VAL VAL TYR
SEQRES 8 A 233 HIS ASN TYR PHE ASP VAL SER MET ALA VAL SER THR PRO
SEQRES 9 A 233 ARG GLY LEU VAL THR PRO VAL LEU ARG ASP VAL ASP THR
SEQRES 10 A 233 LEU GLY MET ALA ASP ILE GLU LYS LYS ILE LYS GLU LEU
SEQRES 11 A 233 ALA VAL LYS GLY ARG ASP GLY LYS LEU THR VAL GLU ASP
SEQRES 12 A 233 LEU THR GLY GLY ASN PHE THR ILE THR ASN GLY GLY VAL
SEQRES 13 A 233 PHE GLY SER LEU MET SER THR PRO ILE ILE ASN PRO PRO
SEQRES 14 A 233 GLN SER ALA ILE LEU GLY MET HIS ALA ILE LYS ASP ARG
SEQRES 15 A 233 PRO MET ALA VAL ASN GLY GLN VAL GLU ILE LEU PRO MET
SEQRES 16 A 233 MET TYR LEU ALA LEU SER TYR ASP HIS ARG LEU ILE ASP
SEQRES 17 A 233 GLY ARG GLU SER VAL GLY PHE LEU VAL THR ILE LYS GLU
SEQRES 18 A 233 LEU LEU GLU ASP PRO THR ARG LEU LEU LEU ASP VAL
HET SO4 A 421 5
HETNAM SO4 SULFATE ION
FORMUL 2 SO4 O4 S 2-
FORMUL 3 HOH *16(H2 O)
HELIX 1 1 ARG A 182 SER A 197 1 16
HELIX 2 2 LYS A 210 HIS A 227 1 18
HELIX 3 3 MET A 234 ARG A 247 1 14
HELIX 4 4 MET A 291 ASP A 307 1 16
HELIX 5 5 GLY A 326 PHE A 328 5 3
HELIX 6 6 GLY A 380 GLU A 395 1 16
HELIX 7 7 PRO A 397 LEU A 402 5 6
SHEET 1 A 6 MET A 200 ASN A 208 0
SHEET 2 A 6 MET A 366 ASP A 374 -1 N TYR A 373 O LEU A 201
SHEET 3 A 6 ALA A 343 GLY A 346 -1 N GLY A 346 O ALA A 370
SHEET 4 A 6 PHE A 320 THR A 323 1 N THR A 321 O LEU A 345
SHEET 5 A 6 VAL A 268 VAL A 272 1 N SER A 269 O PHE A 320
SHEET 6 A 6 VAL A 279 LEU A 283 -1 N LEU A 283 O VAL A 268
SHEET 1 B 2 ALA A 253 ASP A 256 0
SHEET 2 B 2 ASP A 259 TYR A 262 -1 N VAL A 261 O SER A 254
SHEET 1 C 2 LYS A 351 VAL A 357 0
SHEET 2 C 2 GLN A 360 MET A 366 -1 N MET A 366 O LYS A 351
CISPEP 1 PRO A 339 PRO A 340 0 -0.24
SITE 1 AC1 3 LYS A 195 ASN A 196 HOH A 417
CRYST1 222.800 222.800 222.800 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 0.004488 0.000000 0.000000 0.00000
SCALE2 0.000000 0.004488 0.000000 0.00000
SCALE3 0.000000 0.000000 0.004488 0.00000
(ATOM LINES ARE NOT SHOWN.)
END
