Header list of 1g6p.pdb file
Complete list - 23 20 Bytes
HEADER STRUCTURAL GENOMICS 07-NOV-00 1G6P
TITLE SOLUTION NMR STRUCTURE OF THE COLD SHOCK PROTEIN FROM THE
TITLE 2 HYPERTHERMOPHILIC BACTERIUM THERMOTOGA MARITIMA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: COLD SHOCK PROTEIN TMCSP;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA;
SOURCE 3 ORGANISM_TAXID: 2336;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS GREEK-KEY, BETA BARREL, OB-FOLD, STRUCTURAL GENOMICS
EXPDTA SOLUTION NMR
NUMMDL 7
AUTHOR W.KREMER,B.SCHULER,S.HARRIEDER,M.GEYER,W.GRONWALD,C.WELKER,
AUTHOR 2 R.JAENICKE,H.R.KALBITZER
REVDAT 3 23-FEB-22 1G6P 1 REMARK
REVDAT 2 24-FEB-09 1G6P 1 VERSN
REVDAT 1 07-NOV-01 1G6P 0
JRNL AUTH W.KREMER,B.SCHULER,S.HARRIEDER,M.GEYER,W.GRONWALD,C.WELKER,
JRNL AUTH 2 R.JAENICKE,H.R.KALBITZER
JRNL TITL SOLUTION NMR STRUCTURE OF THE COLD-SHOCK PROTEIN FROM THE
JRNL TITL 2 HYPERTHERMOPHILIC BACTERIUM THERMOTOGA MARITIMA.
JRNL REF EUR.J.BIOCHEM. V. 268 2527 2001
JRNL REFN ISSN 0014-2956
JRNL PMID 11322871
JRNL DOI 10.1046/J.1432-1327.2001.02127.X
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, X-PLOR 3.851
REMARK 3 AUTHORS : BRUKER ANALYTIK (XWINNMR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1G6P COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-NOV-00.
REMARK 100 THE DEPOSITION ID IS D_1000012301.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.5MM COLD SHOCK PROTEIN U
REMARK 210 -15N,13C; 50MM PHOSPHATE BUFFER
REMARK 210 PH6.5; 20MM NACL, 92% H2O, 8% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; 3D_13C-
REMARK 210 SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : AURELIA 2.7.10, X-PLOR 3.851
REMARK 210 METHOD USED : DYNAMIC SIMULATED ANNEALING
REMARK 210 PROTOCOL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 7
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
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 O ILE A 17 H VAL A 25 1.45
REMARK 500 H LYS A 4 O THR A 18 1.56
REMARK 500 H ASP A 9 O TYR A 14 1.57
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 SER A 10 146.89 62.56
REMARK 500 1 LYS A 12 -137.27 -105.39
REMARK 500 1 ASP A 20 -91.26 -2.39
REMARK 500 1 TRP A 29 -11.45 146.16
REMARK 500 1 ILE A 32 61.56 -114.80
REMARK 500 1 PHE A 37 94.56 -164.29
REMARK 500 1 THR A 39 -32.53 -172.65
REMARK 500 1 LEU A 40 112.35 60.69
REMARK 500 1 GLU A 42 -0.56 76.29
REMARK 500 1 LYS A 55 -127.36 -106.13
REMARK 500 2 SER A 10 154.81 66.86
REMARK 500 2 LYS A 12 -124.84 -94.50
REMARK 500 2 ASP A 20 -92.82 -6.91
REMARK 500 2 TRP A 29 10.07 103.67
REMARK 500 2 ILE A 32 59.21 -115.53
REMARK 500 2 PHE A 37 80.68 -165.05
REMARK 500 2 LYS A 55 -124.91 -108.51
REMARK 500 3 SER A 10 146.51 65.84
REMARK 500 3 LYS A 12 -126.59 -105.76
REMARK 500 3 ASP A 20 -92.59 -4.63
REMARK 500 3 TRP A 29 -2.10 142.78
REMARK 500 3 PHE A 37 78.12 -164.39
REMARK 500 3 GLU A 42 -7.52 82.17
REMARK 500 3 GLN A 44 -162.07 -164.83
REMARK 500 3 LYS A 55 -114.34 -110.25
REMARK 500 4 SER A 10 145.03 64.10
REMARK 500 4 LYS A 12 -140.31 -100.45
REMARK 500 4 ASP A 20 -87.76 -23.95
REMARK 500 4 TRP A 29 -4.01 139.69
REMARK 500 4 PHE A 37 76.46 -164.86
REMARK 500 4 THR A 39 -24.07 -147.79
REMARK 500 4 LEU A 40 118.14 61.86
REMARK 500 4 GLU A 42 -5.05 77.87
REMARK 500 4 LYS A 55 -125.18 -110.03
REMARK 500 5 SER A 10 147.18 64.60
REMARK 500 5 LYS A 12 -140.66 -105.64
REMARK 500 5 ASP A 20 -93.07 -5.76
REMARK 500 5 TRP A 29 -25.96 165.68
REMARK 500 5 ILE A 32 -95.86 -121.68
REMARK 500 5 GLU A 33 -75.37 -122.20
REMARK 500 5 MET A 34 -158.39 -140.17
REMARK 500 5 GLU A 52 66.30 -118.51
REMARK 500 5 LYS A 55 -123.52 -90.50
REMARK 500 6 SER A 10 154.61 60.11
REMARK 500 6 ASP A 20 -88.16 36.20
REMARK 500 6 TRP A 29 -30.31 170.25
REMARK 500 6 ILE A 32 -57.81 -122.79
REMARK 500 6 GLU A 33 -66.73 -128.70
REMARK 500 6 MET A 34 -134.62 -165.71
REMARK 500 6 GLU A 42 -2.10 75.16
REMARK 500
REMARK 500 THIS ENTRY HAS 62 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1G6P A 1 66 UNP O54310 CSP_THEMA 1 66
SEQRES 1 A 66 MET ARG GLY LYS VAL LYS TRP PHE ASP SER LYS LYS GLY
SEQRES 2 A 66 TYR GLY PHE ILE THR LYS ASP GLU GLY GLY ASP VAL PHE
SEQRES 3 A 66 VAL HIS TRP SER ALA ILE GLU MET GLU GLY PHE LYS THR
SEQRES 4 A 66 LEU LYS GLU GLY GLN VAL VAL GLU PHE GLU ILE GLN GLU
SEQRES 5 A 66 GLY LYS LYS GLY PRO GLN ALA ALA HIS VAL LYS VAL VAL
SEQRES 6 A 66 GLU
SHEET 1 A 2 GLY A 3 ASP A 9 0
SHEET 2 A 2 TYR A 14 LYS A 19 -1 O TYR A 14 N ASP A 9
SHEET 1 B 2 VAL A 45 GLN A 51 0
SHEET 2 B 2 GLN A 58 VAL A 65 -1 N GLN A 58 O GLN A 51
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 - 23 20 Bytes