Header list of 1tbd.pdb file
Complete list - 2 20 Bytes
HEADER DNA BINDING PROTEIN 04-NOV-96 1TBD
TITLE SOLUTION STRUCTURE OF THE ORIGIN DNA BINDING DOMAIN OF SV40 T-ANTIGEN,
TITLE 2 NMR, MINIMIZED AVERAGE STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SV40 T-ANTIGEN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: DNA BINDING DOMAIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN VIRUS 40;
SOURCE 3 ORGANISM_TAXID: 10633;
SOURCE 4 CELL_LINE: BL21;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS DNA-BINDING PROTEIN, REPLICATION ORIGIN BINDING DOMAIN, DNA BINDING
KEYWDS 2 PROTEIN
EXPDTA SOLUTION NMR
AUTHOR X.LUO,D.G.SANFORD,P.A.BULLOCK,W.W.BACHOVCHIN
REVDAT 3 02-MAR-22 1TBD 1 KEYWDS REMARK
REVDAT 2 24-FEB-09 1TBD 1 VERSN
REVDAT 1 12-MAR-97 1TBD 0
JRNL AUTH X.LUO,D.G.SANFORD,P.A.BULLOCK,W.W.BACHOVCHIN
JRNL TITL SOLUTION STRUCTURE OF THE ORIGIN DNA-BINDING DOMAIN OF SV40
JRNL TITL 2 T-ANTIGEN.
JRNL REF NAT.STRUCT.BIOL. V. 3 1034 1996
JRNL REFN ISSN 1072-8368
JRNL PMID 8946857
JRNL DOI 10.1038/NSB1296-1034
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1TBD 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_1000176594.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 5.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY; HNCA; HN(CO)CA;
REMARK 210 HCCH-TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : AMX500
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : BIOSYM FELIX FELIX
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 30
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : TO BE GIVEN
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY ON 13C, 15N LABELED SV40 T-ANTIGEN DNA BINDING
REMARK 210 DOMAIN.
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: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 GLY A 1 N - CA - C ANGL. DEV. = 24.4 DEGREES
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 SER A 2 -38.38 165.80
REMARK 500 VAL A 4 102.97 -42.65
REMARK 500 ASP A 9 -168.87 -163.51
REMARK 500 PHE A 17 78.89 -153.68
REMARK 500 PHE A 23 53.76 -110.02
REMARK 500 THR A 36 155.87 -43.43
REMARK 500 VAL A 53 119.64 -37.73
REMARK 500 PHE A 55 114.51 177.60
REMARK 500 SER A 61 -90.45 -112.10
REMARK 500 TYR A 62 -45.99 -130.77
REMARK 500 HIS A 64 -158.05 -145.55
REMARK 500 PHE A 69 109.21 -166.25
REMARK 500 PRO A 72 -80.60 -77.59
REMARK 500 HIS A 73 174.31 -48.57
REMARK 500 LEU A 87 56.86 -100.75
REMARK 500 SER A 91 -177.05 162.98
REMARK 500 GLU A 101 -74.32 -62.40
REMARK 500 ASP A 111 156.46 -43.63
REMARK 500 ILE A 116 -69.90 -120.14
REMARK 500 LYS A 125 -155.37 175.98
REMARK 500 PHE A 129 -156.71 -79.53
REMARK 500 GLU A 132 85.47 -69.28
REMARK 500 SER A 133 -93.12 46.20
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 ARG A 26 0.26 SIDE CHAIN
REMARK 500 ARG A 58 0.17 SIDE CHAIN
REMARK 500 ARG A 74 0.31 SIDE CHAIN
REMARK 500 ARG A 76 0.31 SIDE CHAIN
REMARK 500 ARG A 110 0.32 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1TBD A 3 132 UNP P03070 TALA_SV40 131 260
SEQRES 1 A 134 GLY SER LYS VAL GLU ASP PRO LYS ASP PHE PRO SER GLU
SEQRES 2 A 134 LEU LEU SER PHE LEU SER HIS ALA VAL PHE SER ASN ARG
SEQRES 3 A 134 THR LEU ALA CYS PHE ALA ILE TYR THR THR LYS GLU LYS
SEQRES 4 A 134 ALA ALA LEU LEU TYR LYS LYS ILE MET GLU LYS TYR SER
SEQRES 5 A 134 VAL THR PHE ILE SER ARG HIS ASN SER TYR ASN HIS ASN
SEQRES 6 A 134 ILE LEU PHE PHE LEU THR PRO HIS ARG HIS ARG VAL SER
SEQRES 7 A 134 ALA ILE ASN ASN TYR ALA GLN LYS LEU CYS THR PHE SER
SEQRES 8 A 134 PHE LEU ILE CYS LYS GLY VAL ASN LYS GLU TYR LEU MET
SEQRES 9 A 134 TYR SER ALA LEU THR ARG ASP PRO PHE SER VAL ILE GLU
SEQRES 10 A 134 GLU SER LEU PRO GLY GLY LEU LYS GLU HIS ASP PHE ASN
SEQRES 11 A 134 PRO GLU SER SER
HELIX 1 1 SER A 12 LEU A 15 5 4
HELIX 2 2 LYS A 37 GLU A 49 1 13
HELIX 3 3 SER A 78 LYS A 86 1 9
HELIX 4 4 TYR A 102 THR A 109 1 8
SHEET 1 A 5 ILE A 94 GLY A 97 0
SHEET 2 A 5 CYS A 30 THR A 35 -1 N TYR A 34 O ILE A 94
SHEET 3 A 5 ASN A 65 LEU A 70 -1 N PHE A 69 O PHE A 31
SHEET 4 A 5 PHE A 55 ASN A 60 -1 N HIS A 59 O ILE A 66
SHEET 5 A 5 SER A 114 GLU A 118 -1 N GLU A 117 O ARG A 58
CISPEP 1 ASP A 111 PRO A 112 0 -0.05
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
Complete list - 2 20 Bytes