Header list of 1w4f.pdb file
Complete list - r 25 2 Bytes
HEADER TRANSFERASE 23-JUL-04 1W4F TITLE PERIPHERAL-SUBUNIT FROM MESOPHILIC, THERMOPHILIC AND TITLE 2 HYPERTHERMOPHILIC BACTERIA FOLD BY ULTRAFAST, APPARENTLY TITLE 3 TWO-STATE TRANSITIONS COMPND MOL_ID: 1; COMPND 2 MOLECULE: DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 125-169; 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: BACILLUS STEAROTHERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 1422; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PRSETA KEYWDS TRANSFERASE, ULTRAFAST FOLDING, HOMOLOGUES, KEYWDS 2 PERIPHERAL-SUBUNIT BINDING DOMAINS EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR N.FERGUSON,T.D.SHARPE,P.J.SCHARTAU,M.D.ALLEN,C.M.JOHNSON, AUTHOR 2 A.R.FERSHT REVDAT 2 24-FEB-09 1W4F 1 VERSN REVDAT 1 20-JUL-05 1W4F 0 JRNL AUTH N.FERGUSON,T.D.SHARPE,P.J.SCHARTAU,S.SATO, JRNL AUTH 2 M.D.ALLEN,C.M.JOHNSON,T.J.RUTHERFORD,A.R.FERSHT JRNL TITL ULTRA-FAST BARRIER-LIMITED FOLDING IN THE JRNL TITL 2 PERIPHERAL 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, REMARK 3 RICE,SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 1W4F COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 26-JUL-04. REMARK 100 THE PDBE ID CODE IS EBI-20566. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298.0 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : 150 REMARK 210 PRESSURE : 1.0 REMARK 210 SAMPLE CONTENTS : 95% H20/5%D20, REMARK 210 3MM SAMPLE REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 800 REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ANSIG, AZARA, CNS REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 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 REMARK 210 NMR SPECTROSCOPY ON 13C, 15N-LABELED 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 400 REMARK 400 COMPOUND REMARK 400 CHAIN A ENGINEERED MUTATION PHE 165 TRP REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 124 REMARK 465 SER A 125 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 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 128 62.94 -106.43 REMARK 500 1 LYS A 154 -87.27 55.28 REMARK 500 2 ARG A 128 -38.06 -176.71 REMARK 500 2 LYS A 154 -81.46 55.52 REMARK 500 3 LYS A 154 -89.75 62.49 REMARK 500 4 ARG A 127 -46.31 -143.94 REMARK 500 4 ALA A 131 147.77 -170.11 REMARK 500 4 LYS A 154 -87.19 56.04 REMARK 500 5 ARG A 127 -42.79 -168.91 REMARK 500 5 LYS A 154 -97.65 47.97 REMARK 500 6 LYS A 154 -83.63 55.94 REMARK 500 7 ARG A 127 40.10 -99.90 REMARK 500 7 LYS A 154 -91.00 52.41 REMARK 500 8 ALA A 131 146.31 -170.08 REMARK 500 8 LYS A 154 -83.02 53.69 REMARK 500 9 LYS A 154 -85.50 56.95 REMARK 500 10 ARG A 127 154.74 61.23 REMARK 500 10 ARG A 128 -71.37 -133.23 REMARK 500 10 LYS A 154 -84.87 56.31 REMARK 500 11 ARG A 128 -45.85 -157.35 REMARK 500 11 LYS A 154 -83.11 56.82 REMARK 500 12 LYS A 154 -91.14 49.67 REMARK 500 13 ARG A 128 -64.01 -139.57 REMARK 500 13 LYS A 154 -86.60 57.02 REMARK 500 14 LYS A 154 -91.61 49.28 REMARK 500 15 ARG A 127 74.37 59.92 REMARK 500 15 LYS A 154 -91.15 49.87 REMARK 500 16 LYS A 154 -83.77 52.64 REMARK 500 17 LYS A 154 -91.40 49.61 REMARK 500 18 ARG A 128 56.43 -118.35 REMARK 500 18 LYS A 154 -85.83 53.20 REMARK 500 19 ALA A 131 147.05 -170.12 REMARK 500 19 LYS A 154 -84.80 56.50 REMARK 500 20 LYS A 154 -91.06 51.28 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1B5S RELATED DB: PDB REMARK 900 DIHYDROLIPOYL TRANSACETYLASE CATALYTIC DOMAIN REMARK 900 (RESIDUES 184-425) FROM BACILLUS REMARK 900 STEAROTHERMOPHILUS REMARK 900 RELATED ID: 1EBD RELATED DB: PDB REMARK 900 DIHYDROLIPOAMIDE DEHYDROGENASE COMPLEXED WITH REMARK 900 THE BINDING DOMAIN OF THE DIHYDROLIPOAMIDE REMARK 900 ACETYLASE REMARK 900 RELATED ID: 1LAB RELATED DB: PDB REMARK 900 DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2P) SUBUNIT REMARK 900 OF THE PYRUVATE DEHYDROGENASE (PDH) REMARK 900 MULTIENZYME COMPLEX (LIPOYLATED DOMAIN, RESIDUES REMARK 900 1 - 80) (NMR, 11 STRUCTURES) REMARK 900 RELATED ID: 1LAC RELATED DB: PDB REMARK 900 DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2P) SUBUNIT REMARK 900 OF THE PYRUVATE DEHYDROGENASE (PDH) REMARK 900 MULTIENZYME COMPLEX (LIPOYLATED DOMAIN, RESIDUES REMARK 900 1 - 80) (NMR, AVERAGE STRUCTURE) REMARK 900 RELATED ID: 1W3D RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE PERIPHERAL-SUBUNIT REMARK 900 BINDING DOMAIN OF BACILLUS STEAROTHERMOPHILUS REMARK 900 E2P REMARK 900 RELATED ID: 1W4E RELATED DB: PDB REMARK 900 PERIPHERAL-SUBUNIT BINDING DOMAINS FROM REMARK 900 MESOPHILIC, THERMOPHILIC, AND HYPERTHERMOPHILIC REMARK 900 BACTERIA FOLD BY ULTRAFAST, APPARENTLY TWO- REMARK 900 STATE TRANSITIONS REMARK 900 RELATED ID: 1W4G RELATED DB: PDB REMARK 900 PERIPHERAL-SUBUNIT BINDING DOMAINS FROM REMARK 900 MESOPHILIC, THERMOPHILIC, AND HYPERTHERMOPHILIC REMARK 900 BACTERIA FOLD BY ULTRAFAST, APPARENTLY TWO- REMARK 900 STATE FOLDING TRANSITIONS REMARK 900 RELATED ID: 2PDD RELATED DB: PDB REMARK 900 DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2P) SUBUNIT REMARK 900 OF THE PYRUVATE DEHYDROGENASE (PDH) REMARK 900 MULTIENZYME COMPLEX (PYRUVATE DECARBOXYLASE (E1P) REMARK 900 / DIHYDROLIPOAMIDE DEHYDROGENASE (E3) 43 REMARK 900 RESIDUE BINDING DOMAIN) (NMR, 35 STRUCTURES) REMARK 900 RELATED ID: 2PDE RELATED DB: PDB REMARK 900 DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2P) SUBUNIT REMARK 900 OF THE PYRUVATE DEHYDROGENASE (PDH) REMARK 900 MULTIENZYME COMPLEX (PYRUVATE DECARBOXYLASE (E1P) REMARK 900 / DIHYDROLIPOAMIDE DEHYDROGENASE (E3) 43 REMARK 900 RESIDUE BINDING DOMAIN) (NMR, AVERAGE REMARK 900 STRUCTURE) REMARK 900 RELATED ID: 1W4H RELATED DB: PDB REMARK 900 PERIPHERAL-SUBUNIT FROM MESOPHILIC, THERMOPHILIC REMARK 900 AND HYPERTHERMOPHILIC BACTERIA FOLD BY REMARK 900 ULTRAFAST, APPARENTLY TWO-STATE TRANSITIONS REMARK 900 RELATED ID: 1W4I RELATED DB: PDB REMARK 900 PERIPHERAL-SUBUNIT BINDING DOMAINS FROM REMARK 900 MESOPHILIC, THERMOPHILIC, AND HYPERTHERMOPHILIC REMARK 900 BACTERIA FOLD BY ULTRAFAST, APPARENTLY TWO- REMARK 900 STATE TRANSITIONS REMARK 900 RELATED ID: 1W4J RELATED DB: PDB REMARK 900 PERIPHERAL-SUBUNIT BINDING DOMAINS FROM REMARK 900 MESOPHILIC, THERMOPHILIC, AND HYPERTHERMOPHILIC REMARK 900 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 REMARK 900 MESOPHILIC, THERMOPHILIC, AND HYPERTHERMOPHILIC REMARK 900 BACTERIA FOLD BY ULTRAFAST, APPARENTLY TWO- REMARK 900 STATE TRANSITIONS REMARK 999 REMARK 999 SEQUENCE REMARK 999 F165 WAS MUTATED TO W166 TO ENABLE FLUORESCENCE REMARK 999 MEASUREMENTS TO BE MADE DBREF 1W4F A 124 125 PDB 1W4F 1W4F 124 125 DBREF 1W4F A 126 170 UNP P11961 ODP2_BACST 125 169 SEQADV 1W4F TRP A 166 UNP P11961 PHE 165 ENGINEERED MUTATION SEQRES 1 A 47 GLY SER ASN ARG ARG VAL ILE ALA MET PRO SER VAL ARG SEQRES 2 A 47 LYS TYR ALA ARG GLU LYS GLY VAL ASP ILE ARG LEU VAL SEQRES 3 A 47 GLN GLY THR GLY LYS ASN GLY ARG VAL LEU LYS GLU ASP SEQRES 4 A 47 ILE ASP ALA TRP LEU ALA GLY GLY HELIX 1 1 SER A 134 LYS A 142 1 9 HELIX 2 2 ASP A 145 VAL A 149 5 5 HELIX 3 3 LEU A 159 ALA A 168 1 10 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 25 2 Bytes