Header list of 2cjo.pdb file
Complete list - r 9 2 Bytes
HEADER ELECTRON TRANSPORT 06-FEB-97 2CJO TITLE STRUCTURE OF FERREDOXIN, NMR, 10 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: FERREDOXIN; COMPND 3 CHAIN: A; COMPND 4 OTHER_DETAILS: 2FE-2S SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; SOURCE 3 ORGANISM_TAXID: 32046; SOURCE 4 OTHER_DETAILS: CYANOBACTERIUM KEYWDS FERREDOXIN, ELECTRON TRANSPORT, IRON-SULFUR PROTEIN EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR H.HATANAKA,R.TANIMURA,S.KATOH,F.INAGAKI REVDAT 3 09-MAR-22 2CJO 1 REMARK REVDAT 2 24-FEB-09 2CJO 1 VERSN REVDAT 1 15-MAY-97 2CJO 0 SPRSDE 15-MAY-97 2CJO 1CJO JRNL AUTH H.HATANAKA,R.TANIMURA,S.KATOH,F.INAGAKI JRNL TITL SOLUTION STRUCTURE OF FERREDOXIN FROM THE THERMOPHILIC JRNL TITL 2 CYANOBACTERIUM SYNECHOCOCCUS ELONGATUS AND ITS JRNL TITL 3 THERMOSTABILITY. JRNL REF J.MOL.BIOL. V. 268 922 1997 JRNL REFN ISSN 0022-2836 JRNL PMID 9180381 JRNL DOI 10.1006/JMBI.1997.1001 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2CJO 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_1000177925. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY; TOCSY; NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : ALPHA-600 REMARK 210 SPECTROMETER MANUFACTURER : JEOL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : F(NOE) + F(REPEL) REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NMR DATA WERE COLLECTED IN H2O IN 0.010 M SODIUM PHOSPHATE REMARK 210 BUFFER PH 7.2 CONTAINING 10 PERCENT D2O AND 0.050 M SODIUM REMARK 210 CHLORIDE AT 20 DEGREES CELSIUS. 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: 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 THR A 2 104.88 49.08 REMARK 500 1 SER A 13 149.94 168.37 REMARK 500 1 THR A 15 131.86 -173.59 REMARK 500 1 ASP A 22 19.62 -148.69 REMARK 500 1 ASP A 35 72.58 35.49 REMARK 500 1 PHE A 38 154.17 169.24 REMARK 500 1 SER A 39 -58.21 -152.09 REMARK 500 1 ARG A 41 23.68 49.52 REMARK 500 1 SER A 60 50.86 -100.28 REMARK 500 1 ASP A 61 -36.61 -138.07 REMARK 500 1 GLN A 62 -174.80 -48.83 REMARK 500 1 ASP A 66 -162.53 -163.01 REMARK 500 1 ASP A 68 -70.12 -77.07 REMARK 500 1 PHE A 74 -171.04 -51.90 REMARK 500 1 VAL A 75 90.87 171.99 REMARK 500 1 VAL A 79 35.55 -146.06 REMARK 500 1 SER A 84 163.37 160.55 REMARK 500 1 CYS A 86 -162.33 -164.48 REMARK 500 1 ASN A 91 92.91 63.36 REMARK 500 1 GLN A 92 45.65 -145.07 REMARK 500 1 GLU A 93 42.99 -86.57 REMARK 500 1 GLU A 94 -37.73 -144.17 REMARK 500 2 THR A 2 102.41 46.23 REMARK 500 2 LYS A 4 95.42 -67.97 REMARK 500 2 ASP A 11 -70.20 -76.50 REMARK 500 2 PHE A 38 142.93 167.37 REMARK 500 2 SER A 39 -60.73 -134.38 REMARK 500 2 ARG A 41 23.79 49.42 REMARK 500 2 LYS A 51 87.01 179.75 REMARK 500 2 LEU A 52 93.90 -46.55 REMARK 500 2 GLU A 56 136.88 176.63 REMARK 500 2 SER A 60 69.84 -101.89 REMARK 500 2 ASP A 61 -44.74 -158.97 REMARK 500 2 GLN A 62 -179.61 -48.49 REMARK 500 2 LEU A 76 99.59 -43.13 REMARK 500 2 VAL A 79 46.32 -173.95 REMARK 500 2 SER A 84 160.71 162.41 REMARK 500 2 CYS A 86 -150.53 -154.81 REMARK 500 2 LYS A 87 92.26 -160.77 REMARK 500 2 LEU A 89 95.53 -65.40 REMARK 500 2 ASN A 91 105.49 63.63 REMARK 500 2 GLN A 92 58.99 -155.76 REMARK 500 2 GLU A 94 -31.09 -135.59 REMARK 500 3 THR A 2 101.91 37.21 REMARK 500 3 ASP A 35 80.15 31.88 REMARK 500 3 PHE A 38 145.49 168.17 REMARK 500 3 SER A 39 -55.98 -136.93 REMARK 500 3 LYS A 51 103.21 179.26 REMARK 500 3 GLN A 59 34.19 -89.88 REMARK 500 3 GLN A 62 171.63 -44.66 REMARK 500 REMARK 500 THIS ENTRY HAS 184 RAMACHANDRAN OUTLIERS. 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 1 ARG A 9 0.12 SIDE CHAIN REMARK 500 1 ARG A 41 0.22 SIDE CHAIN REMARK 500 1 ARG A 83 0.23 SIDE CHAIN REMARK 500 2 ARG A 9 0.23 SIDE CHAIN REMARK 500 2 ARG A 41 0.22 SIDE CHAIN REMARK 500 2 ARG A 83 0.24 SIDE CHAIN REMARK 500 3 ARG A 9 0.25 SIDE CHAIN REMARK 500 3 ARG A 41 0.29 SIDE CHAIN REMARK 500 3 ARG A 83 0.29 SIDE CHAIN REMARK 500 4 ARG A 9 0.23 SIDE CHAIN REMARK 500 4 ARG A 41 0.24 SIDE CHAIN REMARK 500 4 ARG A 83 0.28 SIDE CHAIN REMARK 500 5 ARG A 9 0.11 SIDE CHAIN REMARK 500 5 ARG A 41 0.23 SIDE CHAIN REMARK 500 5 ARG A 83 0.30 SIDE CHAIN REMARK 500 6 ARG A 41 0.20 SIDE CHAIN REMARK 500 6 ARG A 83 0.30 SIDE CHAIN REMARK 500 7 ARG A 9 0.24 SIDE CHAIN REMARK 500 7 ARG A 41 0.27 SIDE CHAIN REMARK 500 7 ARG A 83 0.22 SIDE CHAIN REMARK 500 8 ARG A 9 0.20 SIDE CHAIN REMARK 500 8 ARG A 41 0.25 SIDE CHAIN REMARK 500 8 ARG A 83 0.23 SIDE CHAIN REMARK 500 9 ARG A 9 0.09 SIDE CHAIN REMARK 500 9 ARG A 41 0.22 SIDE CHAIN REMARK 500 9 ARG A 83 0.28 SIDE CHAIN REMARK 500 10 ARG A 9 0.29 SIDE CHAIN REMARK 500 10 ARG A 41 0.23 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2CJN RELATED DB: PDB DBREF 2CJO A 1 97 UNP P0A3C9 FER_SYNEL 1 97 SEQRES 1 A 97 ALA THR TYR LYS VAL THR LEU VAL ARG PRO ASP GLY SER SEQRES 2 A 97 GLU THR THR ILE ASP VAL PRO GLU ASP GLU TYR ILE LEU SEQRES 3 A 97 ASP VAL ALA GLU GLU GLN GLY LEU ASP LEU PRO PHE SER SEQRES 4 A 97 CYS ARG ALA GLY ALA CYS SER THR CYS ALA GLY LYS LEU SEQRES 5 A 97 LEU GLU GLY GLU VAL ASP GLN SER ASP GLN SER PHE LEU SEQRES 6 A 97 ASP ASP ASP GLN ILE GLU LYS GLY PHE VAL LEU THR CYS SEQRES 7 A 97 VAL ALA TYR PRO ARG SER ASP CYS LYS ILE LEU THR ASN SEQRES 8 A 97 GLN GLU GLU GLU LEU TYR HELIX 1 A ILE A 25 GLN A 32 1 8 HELIX 2 B ASP A 67 LYS A 72 1 6 HELIX 3 C GLU A 94 TYR A 97 1 4 SHEET 1 A 4 SER A 13 GLU A 21 0 SHEET 2 A 4 THR A 2 PRO A 10 -1 O LEU A 7 N THR A 15 SHEET 3 A 4 SER A 84 THR A 90 1 O ILE A 88 N VAL A 8 SHEET 4 A 4 LYS A 51 LEU A 53 -1 O LYS A 51 N LEU A 89 SHEET 1 B 2 GLU A 56 GLN A 59 0 SHEET 2 B 2 ALA A 80 ARG A 83 -1 O TYR A 81 N ASP A 58 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 - r 9 2 Bytes