Header list of 1sro.pdb file
Complete list - r 2 2 Bytes
HEADER S1 RNA-BINDING DOMAIN 27-NOV-96 1SRO TITLE S1 RNA BINDING DOMAIN, NMR, 20 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: PNPASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: S1 RNA BINDING DOMAIN; COMPND 5 SYNONYM: POLYRIBONUCLEOTIDE NUCLEOTIDYLTRANSFERASE, POLYNUCLEOTIDE COMPND 6 PHOSPHORYLASE; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PGET2T; SOURCE 7 EXPRESSION_SYSTEM_GENE: S1 RNA BINDING DOMAIN FROM ESCHERICHIA COLI SOURCE 8 PNPASE KEYWDS S1 RNA-BINDING DOMAIN, POLYNUCLEOTIDE PHOSPHORYLASE (PNPASE) EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR M.BYCROFT REVDAT 3 02-MAR-22 1SRO 1 REMARK REVDAT 2 24-FEB-09 1SRO 1 VERSN REVDAT 1 01-APR-97 1SRO 0 JRNL AUTH M.BYCROFT,T.J.HUBBARD,M.PROCTOR,S.M.FREUND,A.G.MURZIN JRNL TITL THE SOLUTION STRUCTURE OF THE S1 RNA BINDING DOMAIN: A JRNL TITL 2 MEMBER OF AN ANCIENT NUCLEIC ACID-BINDING FOLD. JRNL REF CELL(CAMBRIDGE,MASS.) V. 88 235 1997 JRNL REFN ISSN 0092-8674 JRNL PMID 9008164 JRNL DOI 10.1016/S0092-8674(00)81844-9 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.GRIBSKOV REMARK 1 TITL TRANSLATIONAL INITIATION FACTORS IF-1 AND EIF-2 ALPHA SHARE REMARK 1 TITL 2 AN RNA-BINDING MOTIF WITH PROKARYOTIC RIBOSOMAL PROTEIN S1 REMARK 1 TITL 3 AND POLYNUCLEOTIDE PHOSPHORYLASE REMARK 1 REF GENE V. 119 107 1992 REMARK 1 REFN ISSN 0378-1119 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 1SRO 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_1000176485. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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: 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 GLU A 2 -166.51 41.05 REMARK 500 1 ARG A 15 149.52 -178.26 REMARK 500 1 HIS A 34 159.49 -48.39 REMARK 500 1 SER A 36 41.22 -81.57 REMARK 500 1 GLN A 37 53.00 -150.69 REMARK 500 1 ILE A 38 -98.92 -119.09 REMARK 500 1 VAL A 43 55.00 -101.99 REMARK 500 1 MET A 52 93.77 -67.54 REMARK 500 1 VAL A 60 89.53 -55.21 REMARK 500 1 GLU A 62 177.95 151.58 REMARK 500 1 ASP A 64 -172.07 -63.16 REMARK 500 1 ILE A 69 105.34 -42.83 REMARK 500 1 LYS A 74 -94.90 -74.28 REMARK 500 1 GLU A 75 45.35 -156.82 REMARK 500 2 ILE A 3 129.24 170.38 REMARK 500 2 ILE A 25 -99.78 -118.00 REMARK 500 2 HIS A 34 160.12 -49.37 REMARK 500 2 SER A 36 41.34 -81.28 REMARK 500 2 GLN A 37 33.38 -150.65 REMARK 500 2 ILE A 38 -96.29 -108.72 REMARK 500 2 ALA A 39 47.05 -92.76 REMARK 500 2 ASP A 40 -45.65 83.01 REMARK 500 2 LYS A 41 -33.41 -166.61 REMARK 500 2 ARG A 42 -159.37 -56.66 REMARK 500 2 VAL A 43 55.28 80.05 REMARK 500 2 VAL A 60 89.19 -54.37 REMARK 500 2 GLU A 62 133.88 166.15 REMARK 500 2 VAL A 63 -96.09 -150.98 REMARK 500 2 ASP A 64 -162.45 40.73 REMARK 500 2 ILE A 69 71.64 50.05 REMARK 500 3 GLU A 2 -125.32 47.69 REMARK 500 3 ILE A 3 146.01 75.09 REMARK 500 3 PHE A 19 30.13 -92.57 REMARK 500 3 ILE A 25 -105.25 -120.15 REMARK 500 3 VAL A 33 59.93 -90.85 REMARK 500 3 HIS A 34 157.28 -48.73 REMARK 500 3 SER A 36 39.41 -81.18 REMARK 500 3 GLN A 37 53.42 -150.52 REMARK 500 3 ILE A 38 -96.31 -126.25 REMARK 500 3 ALA A 39 54.67 -97.31 REMARK 500 3 ASP A 40 -42.57 83.13 REMARK 500 3 LYS A 41 -21.61 166.54 REMARK 500 3 MET A 52 91.38 -62.60 REMARK 500 3 VAL A 60 87.82 -68.76 REMARK 500 3 GLU A 62 164.36 160.96 REMARK 500 3 VAL A 63 -48.98 -150.13 REMARK 500 3 ARG A 68 41.74 -89.60 REMARK 500 3 ILE A 69 94.74 39.35 REMARK 500 4 ILE A 3 -169.71 -123.40 REMARK 500 4 TYR A 9 -168.19 -118.69 REMARK 500 REMARK 500 THIS ENTRY HAS 265 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 7 0.31 SIDE CHAIN REMARK 500 1 ARG A 15 0.32 SIDE CHAIN REMARK 500 1 ARG A 42 0.29 SIDE CHAIN REMARK 500 1 ARG A 65 0.13 SIDE CHAIN REMARK 500 1 ARG A 68 0.29 SIDE CHAIN REMARK 500 1 ARG A 70 0.19 SIDE CHAIN REMARK 500 2 ARG A 7 0.26 SIDE CHAIN REMARK 500 2 ARG A 15 0.32 SIDE CHAIN REMARK 500 2 ARG A 42 0.31 SIDE CHAIN REMARK 500 2 ARG A 65 0.28 SIDE CHAIN REMARK 500 2 ARG A 68 0.24 SIDE CHAIN REMARK 500 2 ARG A 70 0.17 SIDE CHAIN REMARK 500 3 ARG A 7 0.26 SIDE CHAIN REMARK 500 3 ARG A 15 0.30 SIDE CHAIN REMARK 500 3 ARG A 42 0.10 SIDE CHAIN REMARK 500 3 ARG A 65 0.23 SIDE CHAIN REMARK 500 3 ARG A 68 0.32 SIDE CHAIN REMARK 500 3 ARG A 70 0.19 SIDE CHAIN REMARK 500 4 ARG A 7 0.28 SIDE CHAIN REMARK 500 4 ARG A 15 0.19 SIDE CHAIN REMARK 500 4 ARG A 42 0.18 SIDE CHAIN REMARK 500 4 ARG A 65 0.19 SIDE CHAIN REMARK 500 4 ARG A 68 0.26 SIDE CHAIN REMARK 500 4 ARG A 70 0.19 SIDE CHAIN REMARK 500 5 ARG A 7 0.31 SIDE CHAIN REMARK 500 5 ARG A 15 0.21 SIDE CHAIN REMARK 500 5 ARG A 42 0.23 SIDE CHAIN REMARK 500 5 ARG A 65 0.20 SIDE CHAIN REMARK 500 5 ARG A 68 0.32 SIDE CHAIN REMARK 500 5 ARG A 70 0.30 SIDE CHAIN REMARK 500 6 ARG A 7 0.32 SIDE CHAIN REMARK 500 6 ARG A 15 0.31 SIDE CHAIN REMARK 500 6 ARG A 42 0.31 SIDE CHAIN REMARK 500 6 ARG A 65 0.30 SIDE CHAIN REMARK 500 6 ARG A 68 0.17 SIDE CHAIN REMARK 500 6 ARG A 70 0.30 SIDE CHAIN REMARK 500 7 ARG A 7 0.28 SIDE CHAIN REMARK 500 7 ARG A 15 0.20 SIDE CHAIN REMARK 500 7 ARG A 42 0.28 SIDE CHAIN REMARK 500 7 ARG A 65 0.32 SIDE CHAIN REMARK 500 7 ARG A 68 0.13 SIDE CHAIN REMARK 500 7 ARG A 70 0.19 SIDE CHAIN REMARK 500 8 ARG A 7 0.27 SIDE CHAIN REMARK 500 8 ARG A 15 0.28 SIDE CHAIN REMARK 500 8 ARG A 42 0.30 SIDE CHAIN REMARK 500 8 ARG A 65 0.18 SIDE CHAIN REMARK 500 8 ARG A 68 0.29 SIDE CHAIN REMARK 500 8 ARG A 70 0.23 SIDE CHAIN REMARK 500 9 ARG A 7 0.19 SIDE CHAIN REMARK 500 9 ARG A 15 0.31 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 117 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1SRO A 1 76 UNP P05055 PNP_ECOLI 617 692 SEQRES 1 A 76 ALA GLU ILE GLU VAL GLY ARG VAL TYR THR GLY LYS VAL SEQRES 2 A 76 THR ARG ILE VAL ASP PHE GLY ALA PHE VAL ALA ILE GLY SEQRES 3 A 76 GLY GLY LYS GLU GLY LEU VAL HIS ILE SER GLN ILE ALA SEQRES 4 A 76 ASP LYS ARG VAL GLU LYS VAL THR ASP TYR LEU GLN MET SEQRES 5 A 76 GLY GLN GLU VAL PRO VAL LYS VAL LEU GLU VAL ASP ARG SEQRES 6 A 76 GLN GLY ARG ILE ARG LEU SER ILE LYS GLU ALA HELIX 1 1 VAL A 46 TYR A 49 1 4 SHEET 1 A 3 VAL A 8 LYS A 12 0 SHEET 2 A 3 GLU A 55 GLU A 62 -1 N VAL A 58 O TYR A 9 SHEET 3 A 3 ARG A 70 ILE A 73 -1 N SER A 72 O LYS A 59 SHEET 1 B 2 ARG A 15 VAL A 17 0 SHEET 2 B 2 GLY A 20 PHE A 22 -1 N PHE A 22 O ARG A 15 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 2 2 Bytes