Header list of 1jt8.pdb file
Complete list - b 23 2 Bytes
HEADER TRANSLATION 20-AUG-01 1JT8 TITLE ARCHAEAL INITIATION FACTOR-1A, AIF-1A COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROBABLE TRANSLATION INITIATION FACTOR 1A; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: EIF-1A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; SOURCE 3 ORGANISM_TAXID: 2190; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS BETA BARREL, TRANSLATION FACTOR, TRANSLATION EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR D.W.HOFFMAN,W.LI REVDAT 4 23-FEB-22 1JT8 1 REMARK REVDAT 3 24-FEB-09 1JT8 1 VERSN REVDAT 2 28-JAN-03 1JT8 1 JRNL REVDAT 1 05-SEP-01 1JT8 0 JRNL AUTH W.LI,D.W.HOFFMAN JRNL TITL STRUCTURE AND DYNAMICS OF TRANSLATION INITIATION FACTOR JRNL TITL 2 AIF-1A FROM THE ARCHAEON METHANOCOCCUS JANNASCHII DETERMINED JRNL TITL 3 BY NMR SPECTROSCOPY JRNL REF PROTEIN SCI. V. 10 2426 2001 JRNL REFN ISSN 0961-8368 JRNL PMID 11714910 JRNL DOI 10.1110/PS.PS.18201 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: 943 NOE-DERIVED DISTANCES RESTRAINTS, REMARK 3 88 DIHEDRAL ANGLE RESTRAINTS, 39 HYDROGEN BOND RESTRAINTS REMARK 4 REMARK 4 1JT8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-AUG-01. REMARK 100 THE DEPOSITION ID IS D_1000014156. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 300 MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 10 MM SODIUM PHOSPHATE, 300 MM REMARK 210 SODIUM CHLORIDE, 5 MM SODIUM REMARK 210 AZIDE, PH 6 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY; 3D_15N- REMARK 210 SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 240 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE REMARK 210 COVALENT GEOMETRY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD NMR REMARK 210 TECHNIQUES. 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 ALA A 2 118.84 -165.69 REMARK 500 1 ARG A 13 67.63 67.48 REMARK 500 1 ARG A 16 101.11 65.44 REMARK 500 1 LYS A 17 72.78 -164.04 REMARK 500 1 ASN A 20 175.13 64.12 REMARK 500 1 GLN A 28 123.61 167.54 REMARK 500 1 ARG A 60 -66.92 -93.00 REMARK 500 1 GLU A 61 113.67 -174.49 REMARK 500 1 GLU A 71 -147.75 47.86 REMARK 500 1 VAL A 72 -86.70 -148.50 REMARK 500 1 GLN A 73 -158.71 52.16 REMARK 500 1 ASP A 75 136.62 -176.56 REMARK 500 1 THR A 85 105.03 59.56 REMARK 500 1 LYS A 86 -74.67 -138.75 REMARK 500 1 THR A 87 -43.82 -175.81 REMARK 500 2 GLN A 6 -52.28 -145.86 REMARK 500 2 ILE A 10 98.77 -60.44 REMARK 500 2 ARG A 11 -166.92 -169.93 REMARK 500 2 GLU A 19 58.48 -101.55 REMARK 500 2 ASN A 20 45.67 -147.37 REMARK 500 2 ALA A 32 -73.31 -108.40 REMARK 500 2 TRP A 58 33.49 -156.54 REMARK 500 2 VAL A 72 104.18 177.02 REMARK 500 2 ARG A 83 -179.57 179.26 REMARK 500 2 TYR A 84 78.29 31.30 REMARK 500 2 THR A 85 72.09 -58.57 REMARK 500 2 LYS A 86 -163.46 -167.03 REMARK 500 2 GLN A 88 32.67 -144.11 REMARK 500 3 ALA A 2 82.19 63.68 REMARK 500 3 GLN A 4 84.35 -150.22 REMARK 500 3 VAL A 12 -149.70 -88.81 REMARK 500 3 PRO A 15 -82.81 -75.46 REMARK 500 3 LYS A 17 34.83 -96.93 REMARK 500 3 GLU A 18 -141.96 -73.17 REMARK 500 3 ASN A 20 -81.74 -159.08 REMARK 500 3 GLU A 21 93.75 57.12 REMARK 500 3 MET A 29 -65.03 -95.22 REMARK 500 3 LEU A 30 50.06 -166.21 REMARK 500 3 ARG A 60 -161.43 -113.39 REMARK 500 3 VAL A 72 108.51 177.01 REMARK 500 3 TYR A 84 108.97 -171.73 REMARK 500 3 THR A 85 -41.70 -155.35 REMARK 500 3 LYS A 86 -65.68 -152.55 REMARK 500 3 GLN A 88 -64.02 -163.83 REMARK 500 4 GLN A 4 -42.11 -167.49 REMARK 500 4 VAL A 12 -151.22 40.21 REMARK 500 4 ARG A 13 -174.89 61.06 REMARK 500 4 GLU A 19 -56.92 -165.53 REMARK 500 4 MET A 29 -138.60 -100.02 REMARK 500 4 ALA A 32 -65.18 -145.52 REMARK 500 REMARK 500 THIS ENTRY HAS 142 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 11 0.32 SIDE CHAIN REMARK 500 1 ARG A 13 0.32 SIDE CHAIN REMARK 500 1 ARG A 16 0.32 SIDE CHAIN REMARK 500 1 ARG A 34 0.32 SIDE CHAIN REMARK 500 1 ARG A 36 0.32 SIDE CHAIN REMARK 500 1 ARG A 38 0.32 SIDE CHAIN REMARK 500 1 ARG A 45 0.31 SIDE CHAIN REMARK 500 1 ARG A 48 0.32 SIDE CHAIN REMARK 500 1 ARG A 52 0.31 SIDE CHAIN REMARK 500 1 ARG A 56 0.30 SIDE CHAIN REMARK 500 1 ARG A 60 0.32 SIDE CHAIN REMARK 500 1 ARG A 83 0.31 SIDE CHAIN REMARK 500 1 ARG A 94 0.31 SIDE CHAIN REMARK 500 2 ARG A 11 0.32 SIDE CHAIN REMARK 500 2 ARG A 13 0.32 SIDE CHAIN REMARK 500 2 ARG A 16 0.32 SIDE CHAIN REMARK 500 2 ARG A 34 0.32 SIDE CHAIN REMARK 500 2 ARG A 36 0.30 SIDE CHAIN REMARK 500 2 ARG A 38 0.30 SIDE CHAIN REMARK 500 2 ARG A 45 0.21 SIDE CHAIN REMARK 500 2 ARG A 48 0.31 SIDE CHAIN REMARK 500 2 ARG A 52 0.32 SIDE CHAIN REMARK 500 2 ARG A 56 0.31 SIDE CHAIN REMARK 500 2 ARG A 60 0.32 SIDE CHAIN REMARK 500 2 ARG A 83 0.30 SIDE CHAIN REMARK 500 2 ARG A 94 0.32 SIDE CHAIN REMARK 500 3 ARG A 11 0.31 SIDE CHAIN REMARK 500 3 ARG A 13 0.32 SIDE CHAIN REMARK 500 3 ARG A 16 0.28 SIDE CHAIN REMARK 500 3 ARG A 34 0.32 SIDE CHAIN REMARK 500 3 ARG A 36 0.31 SIDE CHAIN REMARK 500 3 ARG A 38 0.32 SIDE CHAIN REMARK 500 3 ARG A 45 0.29 SIDE CHAIN REMARK 500 3 ARG A 48 0.30 SIDE CHAIN REMARK 500 3 ARG A 52 0.31 SIDE CHAIN REMARK 500 3 ARG A 56 0.31 SIDE CHAIN REMARK 500 3 ARG A 60 0.32 SIDE CHAIN REMARK 500 3 ARG A 83 0.31 SIDE CHAIN REMARK 500 3 ARG A 94 0.32 SIDE CHAIN REMARK 500 4 ARG A 11 0.31 SIDE CHAIN REMARK 500 4 ARG A 13 0.32 SIDE CHAIN REMARK 500 4 ARG A 16 0.31 SIDE CHAIN REMARK 500 4 ARG A 34 0.32 SIDE CHAIN REMARK 500 4 ARG A 36 0.31 SIDE CHAIN REMARK 500 4 ARG A 38 0.32 SIDE CHAIN REMARK 500 4 ARG A 45 0.28 SIDE CHAIN REMARK 500 4 ARG A 48 0.31 SIDE CHAIN REMARK 500 4 ARG A 52 0.32 SIDE CHAIN REMARK 500 4 ARG A 56 0.31 SIDE CHAIN REMARK 500 4 ARG A 60 0.32 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 130 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1JT8 A 1 102 UNP Q57887 IF1A_METJA 1 102 SEQRES 1 A 102 MET ALA GLU GLN GLN GLN GLU GLN GLN ILE ARG VAL ARG SEQRES 2 A 102 ILE PRO ARG LYS GLU GLU ASN GLU ILE LEU GLY ILE ILE SEQRES 3 A 102 GLU GLN MET LEU GLY ALA SER ARG VAL ARG VAL ARG CYS SEQRES 4 A 102 LEU ASP GLY LYS THR ARG LEU GLY ARG ILE PRO GLY ARG SEQRES 5 A 102 LEU LYS ASN ARG ILE TRP VAL ARG GLU GLY ASP VAL VAL SEQRES 6 A 102 ILE VAL LYS PRO TRP GLU VAL GLN GLY ASP GLN LYS CYS SEQRES 7 A 102 ASP ILE ILE TRP ARG TYR THR LYS THR GLN VAL GLU TRP SEQRES 8 A 102 LEU LYS ARG LYS GLY TYR LEU ASP GLU LEU LEU HELIX 1 1 PRO A 50 TRP A 58 1 9 HELIX 2 2 THR A 87 LEU A 101 1 15 SHEET 1 A 6 ILE A 22 GLU A 27 0 SHEET 2 A 6 ARG A 34 LEU A 40 -1 O LEU A 40 N LEU A 23 SHEET 3 A 6 LYS A 43 ARG A 48 -1 O ARG A 45 N VAL A 37 SHEET 4 A 6 GLN A 76 ARG A 83 1 O CYS A 78 N LEU A 46 SHEET 5 A 6 ASP A 63 VAL A 67 -1 N VAL A 64 O ARG A 83 SHEET 6 A 6 ILE A 22 GLU A 27 -1 N GLY A 24 O VAL A 65 CRYST1 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