Header list of 1w4j.pdb file
Complete list - y 9 2 Bytes
HEADER TRANSFERASE 23-JUL-04 1W4J TITLE PERIPHERAL-SUBUNIT BINDING DOMAINS FROM MESOPHILIC, THERMOPHILIC, AND TITLE 2 HYPERTHERMOPHILIC BACTERIA FOLD BY ULTRAFAST, APPARENTLY TWO-STATE TITLE 3 TRANSITIONS COMPND MOL_ID: 1; COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE E2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 93-141; COMPND 5 SYNONYM: DIHYDROLIPOAMIDE ACETYLTRANSFERASE; COMPND 6 EC: 2.3.1.12; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROBACULUM AEROPHILUM; SOURCE 3 ORGANISM_TAXID: 13773; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PRSETA KEYWDS PERIPHERAL-SUBUNIT BINDING DOMAIN, ULTRAFAST FOLDING, HOMOLOGUES, KEYWDS 2 TRANSFERASE EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR N.FERGUSON,T.D.SHARPE,P.J.SCHARTAU,M.D.ALLEN,C.M.JOHNSON,S.SATO, AUTHOR 2 A.R.FERSHT REVDAT 3 09-MAY-18 1W4J 1 JRNL REMARK REVDAT 2 24-FEB-09 1W4J 1 VERSN REVDAT 1 20-JUL-05 1W4J 0 JRNL AUTH N.FERGUSON,T.D.SHARPE,P.J.SCHARTAU,S.SATO,M.D.ALLEN, JRNL AUTH 2 C.M.JOHNSON,T.J.RUTHERFORD,A.R.FERSHT JRNL TITL ULTRA-FAST BARRIER-LIMITED FOLDING IN THE PERIPHERAL JRNL TITL 2 SUBUNIT-BINDING DOMAIN FAMILY. JRNL REF J. MOL. BIOL. V. 353 427 2005 JRNL REFN ISSN 0022-2836 JRNL PMID 16168437 JRNL DOI 10.1016/J.JMB.2005.08.031 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- REMARK 3 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, RICE, REMARK 3 SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE REMARK 3 JRNL REFERENCE ABOVE REMARK 4 REMARK 4 1W4J COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 23-JUL-04. REMARK 100 THE DEPOSITION ID IS D_1290020576. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298.0 REMARK 210 PH : 6.2 REMARK 210 IONIC STRENGTH : 100 REMARK 210 PRESSURE : 1.0 ATM REMARK 210 SAMPLE CONTENTS : 95% H2O/5% D2O, 3MM SAMPLE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DRX REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ANSIG, CNS REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 21 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : NO VIOLATIONS > 0.25 REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY ON 13C, 15N LABELLED PROTEIN 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 400 REMARK 400 COMPOUND REMARK 400 ENGINEERED MUTATION LEU 112 ALA AND TYR 132 TRP 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 ARG A 127 31.97 -96.47 REMARK 500 1 MET A 132 166.95 -47.43 REMARK 500 1 LYS A 150 91.73 -50.82 REMARK 500 1 PRO A 154 106.50 -44.37 REMARK 500 2 GLU A 128 148.43 62.58 REMARK 500 2 MET A 132 167.42 -48.14 REMARK 500 2 LYS A 150 90.82 -50.73 REMARK 500 3 ARG A 127 -64.58 -126.57 REMARK 500 3 GLU A 128 -178.44 -66.64 REMARK 500 3 MET A 132 167.59 -47.81 REMARK 500 3 LYS A 150 90.93 -50.64 REMARK 500 3 PRO A 154 102.89 -43.37 REMARK 500 4 MET A 132 167.74 -46.91 REMARK 500 4 LYS A 150 91.12 -50.74 REMARK 500 5 SER A 126 31.76 -99.14 REMARK 500 5 MET A 132 166.64 -47.03 REMARK 500 5 LYS A 150 92.41 -50.70 REMARK 500 5 PRO A 154 107.65 -43.99 REMARK 500 6 MET A 132 166.93 -47.44 REMARK 500 6 LYS A 150 93.18 -50.71 REMARK 500 7 ARG A 127 -68.29 -126.37 REMARK 500 7 MET A 132 166.66 -48.63 REMARK 500 7 LYS A 150 93.25 -50.51 REMARK 500 7 PRO A 154 108.79 -43.23 REMARK 500 8 MET A 132 168.65 -47.35 REMARK 500 8 LYS A 150 91.02 -50.75 REMARK 500 8 PRO A 154 107.56 -43.93 REMARK 500 8 THR A 174 175.11 -59.27 REMARK 500 9 SER A 126 77.99 -110.58 REMARK 500 9 GLU A 128 -45.12 -130.33 REMARK 500 9 MET A 132 167.73 -46.96 REMARK 500 9 LYS A 150 92.81 -50.76 REMARK 500 10 SER A 126 -45.75 -155.18 REMARK 500 10 ARG A 127 79.80 -101.70 REMARK 500 10 GLU A 128 168.33 61.66 REMARK 500 10 MET A 132 167.94 -47.88 REMARK 500 10 LYS A 150 90.75 -50.73 REMARK 500 10 THR A 174 175.18 54.08 REMARK 500 11 SER A 126 -47.29 -160.70 REMARK 500 11 MET A 132 167.76 -47.88 REMARK 500 11 LYS A 150 90.99 -50.65 REMARK 500 11 ALA A 173 43.15 -94.19 REMARK 500 11 THR A 174 -177.94 55.86 REMARK 500 12 GLU A 128 -68.17 69.25 REMARK 500 12 MET A 132 166.56 -47.30 REMARK 500 12 LYS A 150 93.66 -50.62 REMARK 500 12 PRO A 154 103.95 -43.82 REMARK 500 13 GLU A 128 -45.68 -154.71 REMARK 500 13 MET A 132 167.76 -46.46 REMARK 500 13 LYS A 150 92.01 -50.70 REMARK 500 REMARK 500 THIS ENTRY HAS 78 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1W4E RELATED DB: PDB REMARK 900 PERIPHERAL-SUBUNIT BINDING DOMAINS FROM MESOPHILIC, THERMOPHILIC, REMARK 900 AND HYPERTHERMOPHILIC BACTERIA FOLD BY ULTRAFAST, APPARENTLY TWO- REMARK 900 STATE TRANSITIONS REMARK 900 RELATED ID: 1W4F RELATED DB: PDB REMARK 900 PERIPHERAL-SUBUNIT FROM MESOPHILIC, THERMOPHILIC AND REMARK 900 HYPERTHERMOPHILIC BACTERIA FOLD BY ULTRAFAST, APPARENTLY TWO-STATE REMARK 900 TRANSITIONS REMARK 900 RELATED ID: 1W4H RELATED DB: PDB REMARK 900 PERIPHERAL-SUBUNIT FROM MESOPHILIC, THERMOPHILIC AND REMARK 900 HYPERTHERMOPHILIC BACTERIA FOLD BY ULTRAFAST, APPARENTLY TWO-STATE REMARK 900 TRANSITIONS REMARK 900 RELATED ID: 1W4I RELATED DB: PDB REMARK 900 PERIPHERAL-SUBUNIT BINDING DOMAINS FROM MESOPHILIC, THERMOPHILIC, REMARK 900 AND HYPERTHERMOPHILIC BACTERIA FOLD BY ULTRAFAST, APPARENTLY TWO- REMARK 900 STATE TRANSITIONS REMARK 900 RELATED ID: 1W4K RELATED DB: PDB REMARK 900 PERIPHERAL-SUBUNIT BINDING DOMAINS FROM MESOPHILIC, THERMOPHILIC, REMARK 900 AND HYPERTHERMOPHILIC BACTERIA FOLD BY ULTRAFAST, APPARENTLY TWO- REMARK 900 STATE TRANSITIONS REMARK 999 REMARK 999 SEQUENCE REMARK 999 L146A DESTABILISATION FOR BIOPHYSICAL STUDIES Y166W REMARK 999 ENGINEERED FLUOROPHORE DBREF 1W4J A 125 126 PDB 1W4J 1W4J 125 126 DBREF 1W4J A 127 175 UNP Q8ZUR6 Q8ZUR6 93 141 SEQADV 1W4J ALA A 146 UNP Q8ZUR6 LEU 112 ENGINEERED MUTATION SEQADV 1W4J TRP A 166 UNP Q8ZUR6 TYR 132 ENGINEERED MUTATION SEQRES 1 A 51 GLY SER ARG GLU VAL ALA ALA MET PRO ALA ALA ARG ARG SEQRES 2 A 51 LEU ALA LYS GLU LEU GLY ILE ASP ALA SER LYS VAL LYS SEQRES 3 A 51 GLY THR GLY PRO GLY GLY VAL ILE THR VAL GLU ASP VAL SEQRES 4 A 51 LYS ARG TRP ALA GLU GLU THR ALA LYS ALA THR ALA HELIX 1 1 MET A 132 GLY A 143 1 12 HELIX 2 2 THR A 159 ALA A 173 1 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 - y 9 2 Bytes