Header list of 1ovq.pdb file
Complete list - b 23 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-MAR-03 1OVQ TITLE SOLUTION STRUCTURE OF THE HYPOTHETICAL PROTEIN YQGF FROM ESCHERICHIA TITLE 2 COLI COMPND MOL_ID: 1; COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YQGF; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 GENE: YQGF OR B2949 OR C3535; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) KEYWDS STRUCTURAL GENOMICS, ALPHA-BETA-ALPHA, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 25 AUTHOR D.LIU,Y.S.WANG,D.F.WYSS REVDAT 3 23-FEB-22 1OVQ 1 REMARK REVDAT 2 24-FEB-09 1OVQ 1 VERSN REVDAT 1 04-NOV-03 1OVQ 0 JRNL AUTH D.LIU,Y.S.WANG,D.F.WYSS JRNL TITL SOLUTION STRUCTURE OF THE HYPOTHETICAL PROTEIN YQGF FROM JRNL TITL 2 ESCHERICHIA COLI REVEALS AN RNASE H FOLD. JRNL REF J.BIOMOL.NMR V. 27 389 2003 JRNL REFN ISSN 0925-2738 JRNL PMID 14512736 JRNL DOI 10.1023/A:1025840121177 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 98, X-PLOR 98 REMARK 3 AUTHORS : MSI (X-PLOR), MSI (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1OVQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-APR-03. REMARK 100 THE DEPOSITION ID IS D_1000018713. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.5 REMARK 210 IONIC STRENGTH : 0.45 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : U-15N,13C; 75 MM KIPO4, PH 7.5, REMARK 210 5 MM DTT; U-15N,13C; 75 MM KIPO4, REMARK 210 PH 7.5, 5 MM DTT REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 98 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH REMARK 210 EXPERIMENTAL NOESY SPECTRUM 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 THR A 4 H ASP A 55 1.35 REMARK 500 O ALA A 126 H LEU A 130 1.47 REMARK 500 H VAL A 19 O ARG A 28 1.54 REMARK 500 H PHE A 8 O ILE A 58 1.59 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 PHE A 10 -158.43 -174.27 REMARK 500 1 ARG A 22 45.90 -87.36 REMARK 500 1 PRO A 31 170.66 -42.08 REMARK 500 1 ILE A 33 57.44 -53.53 REMARK 500 1 ASP A 37 27.41 46.75 REMARK 500 1 ASP A 41 90.94 -64.42 REMARK 500 1 GLN A 53 110.23 65.62 REMARK 500 1 THR A 68 -160.23 -105.89 REMARK 500 1 GLU A 69 163.20 -46.13 REMARK 500 1 THR A 100 -52.14 -138.04 REMARK 500 1 ARG A 104 64.50 -117.61 REMARK 500 1 ALA A 115 110.60 -165.39 REMARK 500 1 LEU A 116 107.24 -53.09 REMARK 500 1 ASN A 117 125.65 -170.36 REMARK 500 2 SER A 2 109.36 58.28 REMARK 500 2 PHE A 10 -159.68 -174.16 REMARK 500 2 THR A 12 -91.07 -37.52 REMARK 500 2 LYS A 13 49.51 -99.45 REMARK 500 2 ARG A 22 31.43 -89.87 REMARK 500 2 PRO A 31 167.31 -40.36 REMARK 500 2 ILE A 33 55.07 -53.23 REMARK 500 2 ASP A 37 27.34 49.26 REMARK 500 2 ASP A 41 91.02 -63.71 REMARK 500 2 GLN A 53 100.67 56.52 REMARK 500 2 GLU A 69 -155.84 48.91 REMARK 500 2 GLN A 70 77.02 -176.98 REMARK 500 2 ARG A 104 62.83 -108.57 REMARK 500 2 ARG A 114 71.12 -154.62 REMARK 500 2 ALA A 115 -166.04 53.25 REMARK 500 2 LEU A 116 99.66 53.44 REMARK 500 2 ASP A 122 -158.91 -65.62 REMARK 500 2 SER A 123 -60.21 67.06 REMARK 500 3 THR A 12 -102.71 44.61 REMARK 500 3 LYS A 13 45.85 -90.05 REMARK 500 3 PRO A 31 162.13 -39.63 REMARK 500 3 ILE A 33 51.36 -53.80 REMARK 500 3 ASP A 37 25.59 49.50 REMARK 500 3 ASP A 41 90.79 -64.47 REMARK 500 3 GLN A 53 91.67 51.96 REMARK 500 3 THR A 68 -165.15 -105.30 REMARK 500 3 GLU A 69 -157.12 37.87 REMARK 500 3 GLN A 70 67.12 -176.80 REMARK 500 3 SER A 99 92.60 -56.88 REMARK 500 3 ALA A 103 135.10 62.14 REMARK 500 3 LEU A 116 -46.04 -134.14 REMARK 500 3 LYS A 118 80.34 -153.81 REMARK 500 3 ASP A 122 -37.27 -173.24 REMARK 500 4 PHE A 10 -164.57 -177.65 REMARK 500 4 THR A 12 77.13 -60.01 REMARK 500 4 LYS A 13 -22.45 162.67 REMARK 500 REMARK 500 THIS ENTRY HAS 402 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 22 0.23 SIDE CHAIN REMARK 500 1 ARG A 28 0.26 SIDE CHAIN REMARK 500 1 ARG A 47 0.22 SIDE CHAIN REMARK 500 1 ARG A 75 0.32 SIDE CHAIN REMARK 500 1 ARG A 77 0.22 SIDE CHAIN REMARK 500 1 ARG A 82 0.26 SIDE CHAIN REMARK 500 1 ARG A 86 0.32 SIDE CHAIN REMARK 500 1 ARG A 97 0.18 SIDE CHAIN REMARK 500 1 ARG A 104 0.22 SIDE CHAIN REMARK 500 1 ARG A 114 0.31 SIDE CHAIN REMARK 500 2 ARG A 22 0.21 SIDE CHAIN REMARK 500 2 ARG A 28 0.20 SIDE CHAIN REMARK 500 2 ARG A 47 0.29 SIDE CHAIN REMARK 500 2 ARG A 75 0.31 SIDE CHAIN REMARK 500 2 ARG A 77 0.31 SIDE CHAIN REMARK 500 2 ARG A 82 0.25 SIDE CHAIN REMARK 500 2 ARG A 86 0.27 SIDE CHAIN REMARK 500 2 ARG A 97 0.31 SIDE CHAIN REMARK 500 2 ARG A 104 0.30 SIDE CHAIN REMARK 500 2 ARG A 114 0.24 SIDE CHAIN REMARK 500 3 ARG A 22 0.25 SIDE CHAIN REMARK 500 3 ARG A 28 0.23 SIDE CHAIN REMARK 500 3 ARG A 47 0.31 SIDE CHAIN REMARK 500 3 ARG A 75 0.31 SIDE CHAIN REMARK 500 3 ARG A 77 0.26 SIDE CHAIN REMARK 500 3 ARG A 82 0.32 SIDE CHAIN REMARK 500 3 ARG A 86 0.32 SIDE CHAIN REMARK 500 3 ARG A 97 0.25 SIDE CHAIN REMARK 500 3 ARG A 104 0.19 SIDE CHAIN REMARK 500 3 ARG A 114 0.18 SIDE CHAIN REMARK 500 4 ARG A 22 0.26 SIDE CHAIN REMARK 500 4 ARG A 28 0.19 SIDE CHAIN REMARK 500 4 ARG A 47 0.19 SIDE CHAIN REMARK 500 4 ARG A 75 0.30 SIDE CHAIN REMARK 500 4 ARG A 77 0.30 SIDE CHAIN REMARK 500 4 ARG A 82 0.25 SIDE CHAIN REMARK 500 4 ARG A 86 0.31 SIDE CHAIN REMARK 500 4 ARG A 97 0.30 SIDE CHAIN REMARK 500 4 ARG A 104 0.30 SIDE CHAIN REMARK 500 4 ARG A 114 0.25 SIDE CHAIN REMARK 500 5 ARG A 22 0.27 SIDE CHAIN REMARK 500 5 ARG A 28 0.18 SIDE CHAIN REMARK 500 5 ARG A 47 0.32 SIDE CHAIN REMARK 500 5 ARG A 75 0.18 SIDE CHAIN REMARK 500 5 ARG A 77 0.30 SIDE CHAIN REMARK 500 5 ARG A 82 0.29 SIDE CHAIN REMARK 500 5 ARG A 86 0.21 SIDE CHAIN REMARK 500 5 ARG A 97 0.32 SIDE CHAIN REMARK 500 5 ARG A 104 0.29 SIDE CHAIN REMARK 500 5 ARG A 114 0.32 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 250 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1OVQ A 1 138 UNP P0A8I1 RUVX_ECOLI 1 138 SEQRES 1 A 138 MET SER GLY THR LEU LEU ALA PHE ASP PHE GLY THR LYS SEQRES 2 A 138 SER ILE GLY VAL ALA VAL GLY GLN ARG ILE THR GLY THR SEQRES 3 A 138 ALA ARG PRO LEU PRO ALA ILE LYS ALA GLN ASP GLY THR SEQRES 4 A 138 PRO ASP TRP ASN ILE ILE GLU ARG LEU LEU LYS GLU TRP SEQRES 5 A 138 GLN PRO ASP GLU ILE ILE VAL GLY LEU PRO LEU ASN MET SEQRES 6 A 138 ASP GLY THR GLU GLN PRO LEU THR ALA ARG ALA ARG LYS SEQRES 7 A 138 PHE ALA ASN ARG ILE HIS GLY ARG PHE GLY VAL GLU VAL SEQRES 8 A 138 LYS LEU HIS ASP GLU ARG LEU SER THR VAL GLU ALA ARG SEQRES 9 A 138 SER GLY LEU PHE GLU GLN GLY GLY TYR ARG ALA LEU ASN SEQRES 10 A 138 LYS GLY LYS VAL ASP SER ALA SER ALA VAL ILE ILE LEU SEQRES 11 A 138 GLU SER TYR PHE GLU GLN GLY TYR HELIX 1 1 ASP A 41 TRP A 52 1 12 HELIX 2 2 LEU A 72 GLY A 88 1 17 HELIX 3 3 SER A 123 GLY A 137 1 15 SHEET 1 A 5 THR A 26 LEU A 30 0 SHEET 2 A 5 SER A 14 GLN A 21 -1 N VAL A 19 O ARG A 28 SHEET 3 A 5 THR A 4 GLY A 11 -1 N ALA A 7 O ALA A 18 SHEET 4 A 5 PRO A 54 VAL A 59 1 O ASP A 55 N THR A 4 SHEET 5 A 5 VAL A 91 LEU A 93 1 O LYS A 92 N VAL A 59 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 23 2 Bytes