Header list of 1bb8.pdb file
Complete list - b 16 2 Bytes
HEADER INTEGRASE 29-APR-98 1BB8
TITLE N-TERMINAL DNA BINDING DOMAIN FROM TN916 INTEGRASE, NMR, 25 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: INTEGRASE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: N-TERMINAL DNA BINDING DOMAIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS;
SOURCE 3 ORGANISM_TAXID: 1351;
SOURCE 4 CELL_LINE: BL21;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);
SOURCE 8 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET11A
KEYWDS INTEGRASE, DNA BINDING, TRANSPOSITION
EXPDTA SOLUTION NMR
NUMMDL 25
AUTHOR R.T.CLUBB,K.M.CONNOLLY,J.M.WOJCIAK
REVDAT 5 16-FEB-22 1BB8 1 REMARK
REVDAT 4 24-FEB-09 1BB8 1 VERSN
REVDAT 3 23-FEB-00 1BB8 1 REMARK
REVDAT 2 13-JAN-99 1BB8 1 SOURCE REMARK TITLE KEYWDS
REVDAT 2 2 1 SHEET
REVDAT 1 25-NOV-98 1BB8 0
JRNL AUTH K.M.CONNOLLY,J.M.WOJCIAK,R.T.CLUBB
JRNL TITL SITE-SPECIFIC DNA BINDING USING A VARIATION OF THE DOUBLE
JRNL TITL 2 STRANDED RNA BINDING MOTIF.
JRNL REF NAT.STRUCT.BIOL. V. 5 546 1998
JRNL REFN ISSN 1072-8368
JRNL PMID 9665166
JRNL DOI 10.1038/799
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.843
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JRNL CITATION ABOVE.
REMARK 4
REMARK 4 1BB8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000171551.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 300
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : H2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY ETC.
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : DISTANCE GEOMETRY AND SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: THREE AND FOUR-DIMENSIONAL HETERONUCLEAR NMR EXPERIMENTS
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
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: MONOMERIC
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 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
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 H VAL A 45 OD2 ASP A 48 1.42
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 1 ARG A 9 -71.67 -101.30
REMARK 500 1 SER A 32 6.28 -62.11
REMARK 500 1 SER A 41 136.50 -170.78
REMARK 500 1 HIS A 72 37.14 -151.65
REMARK 500 2 LYS A 4 -113.92 -152.61
REMARK 500 2 SER A 32 -2.82 -59.79
REMARK 500 2 SER A 41 145.47 -172.27
REMARK 500 2 ALA A 46 -7.04 -55.15
REMARK 500 3 HIS A 72 15.84 -156.52
REMARK 500 4 ARG A 9 -77.38 -95.57
REMARK 500 4 SER A 41 146.19 -171.66
REMARK 500 4 HIS A 72 -59.98 -144.76
REMARK 500 5 SER A 41 143.60 -171.26
REMARK 500 5 ALA A 52 150.50 -48.96
REMARK 500 6 ARG A 9 -81.75 -104.77
REMARK 500 7 LYS A 4 -141.73 -155.28
REMARK 500 7 ASP A 7 -159.96 -81.57
REMARK 500 7 ARG A 9 -86.01 -92.18
REMARK 500 7 ASP A 56 162.33 -49.53
REMARK 500 8 ARG A 5 -148.03 -94.70
REMARK 500 8 SER A 41 146.31 -174.31
REMARK 500 9 SER A 32 1.46 -60.55
REMARK 500 10 ARG A 9 -80.13 -103.98
REMARK 500 10 SER A 32 6.06 -66.20
REMARK 500 10 SER A 59 174.77 -57.97
REMARK 500 10 HIS A 72 -42.13 -156.45
REMARK 500 11 LYS A 4 44.24 -86.11
REMARK 500 11 ASP A 7 -103.72 -137.56
REMARK 500 11 ASN A 8 -80.93 -66.46
REMARK 500 11 SER A 32 0.74 -64.10
REMARK 500 11 SER A 41 148.61 -172.11
REMARK 500 11 HIS A 72 13.52 -158.18
REMARK 500 12 SER A 32 0.30 -58.90
REMARK 500 12 ASP A 48 -174.43 -69.51
REMARK 500 13 ARG A 9 -73.39 -100.20
REMARK 500 13 PRO A 51 -112.88 -82.09
REMARK 500 13 ALA A 52 -149.76 -55.00
REMARK 500 13 HIS A 72 -127.39 -85.28
REMARK 500 14 SER A 32 -3.98 -59.87
REMARK 500 14 SER A 41 148.62 -171.77
REMARK 500 14 ALA A 52 151.60 -45.36
REMARK 500 14 ARG A 55 -99.10 -78.08
REMARK 500 15 ASP A 7 -169.57 -123.58
REMARK 500 15 SER A 32 3.33 -60.73
REMARK 500 15 GLN A 68 -72.57 -78.82
REMARK 500 16 SER A 32 -0.43 -59.28
REMARK 500 16 ALA A 52 159.55 -45.33
REMARK 500 16 ASP A 56 176.48 -52.10
REMARK 500 17 ASP A 7 -159.59 -130.98
REMARK 500 17 SER A 32 0.36 -63.01
REMARK 500
REMARK 500 THIS ENTRY HAS 72 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 2BB8 RELATED DB: PDB
DBREF 1BB8 A 3 73 UNP P22886 TNR6_ENTFA 3 73
SEQRES 1 A 71 GLU LYS ARG ARG ASP ASN ARG GLY ARG ILE LEU LYS THR
SEQRES 2 A 71 GLY GLU SER GLN ARG LYS ASP GLY ARG TYR LEU TYR LYS
SEQRES 3 A 71 TYR ILE ASP SER PHE GLY GLU PRO GLN PHE VAL TYR SER
SEQRES 4 A 71 TRP LYS LEU VAL ALA THR ASP ARG VAL PRO ALA GLY LYS
SEQRES 5 A 71 ARG ASP CYS ILE SER LEU ARG GLU LYS ILE ALA GLU LEU
SEQRES 6 A 71 GLN LYS ASP ILE HIS ASP
HELIX 1 1 LEU A 60 ASP A 70 1 11
SHEET 1 A 3 SER A 18 GLN A 19 0
SHEET 2 A 3 TYR A 25 ILE A 30 1
SHEET 3 A 3 PRO A 36 SER A 41 -1
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
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 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - b 16 2 Bytes