Header list of 1w4i.pdb file
Complete list - r 25 2 Bytes
HEADER TRANSFERASE 23-JUL-04 1W4I TITLE PERIPHERAL-SUBUNIT BINDING DOMAINS FROM MESOPHILIC, TITLE 2 THERMOPHILIC, AND HYPERTHERMOPHILIC BACTERIA FOLD BY TITLE 3 ULTRAFAST, APPARENTLY TWO-STATE TRANSITIONS COMPND MOL_ID: 1; COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE E2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 93-152; COMPND 5 SYNONYM: DIHYDROLIPOAMIDE ACETYLTRANSFERASE; COMPND 6 EC: 2.3.1.12; COMPND 7 ENGINEERED: 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 TRANSFERASE, PERIPHERAL-SUBUNIT BINDING DOMAIN, ULTRAFAST KEYWDS 2 FOLDING, HOMOLOGUES, EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR N.FERGUSON,T.D.SHARPE,P.J.SCHARTAU,M.D.ALLEN,C.M.JOHNSON, AUTHOR 2 S.SATO,A.R.FERSHT REVDAT 2 24-FEB-09 1W4I 1 VERSN REVDAT 1 20-JUL-05 1W4I 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 1W4I 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-20567. 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 REMARK 210 SAMPLE CONTENTS : 3MM SAMPLE, REMARK 210 95% H2O/5% D2O REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 600 REMARK 210 SPECTROMETER MODEL : DRX 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 VIOLATION > 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 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 127 -168.54 -105.38 REMARK 500 1 VAL A 129 -168.72 44.94 REMARK 500 1 ALA A 171 93.03 -168.02 REMARK 500 1 ALA A 173 75.59 -156.66 REMARK 500 1 THR A 174 48.13 -95.11 REMARK 500 1 ALA A 175 -62.26 -177.02 REMARK 500 1 LYS A 181 -64.81 -125.10 REMARK 500 1 GLU A 184 -57.28 -128.28 REMARK 500 2 ALA A 171 96.21 -177.81 REMARK 500 2 THR A 174 -39.26 -162.19 REMARK 500 2 ALA A 175 149.55 73.52 REMARK 500 2 ALA A 177 74.33 61.46 REMARK 500 2 ALA A 179 85.84 -169.97 REMARK 500 3 ARG A 127 -40.43 -176.36 REMARK 500 3 VAL A 129 162.92 57.31 REMARK 500 3 ALA A 171 -63.61 -146.15 REMARK 500 3 LYS A 172 -18.23 74.95 REMARK 500 3 ALA A 173 -43.11 -167.86 REMARK 500 3 THR A 174 -78.21 -157.30 REMARK 500 3 PRO A 180 -171.51 -67.03 REMARK 500 3 GLU A 184 -75.70 -127.74 REMARK 500 3 LYS A 185 159.65 60.91 REMARK 500 4 PRO A 180 170.64 -48.99 REMARK 500 4 GLU A 184 -178.14 60.49 REMARK 500 5 ALA A 171 92.37 -160.31 REMARK 500 5 ALA A 173 100.31 -170.54 REMARK 500 5 ALA A 175 127.09 62.85 REMARK 500 5 PRO A 176 106.52 -54.06 REMARK 500 5 ALA A 179 76.05 -168.96 REMARK 500 5 PRO A 180 -167.11 -55.95 REMARK 500 5 ALA A 182 179.30 58.23 REMARK 500 6 GLU A 128 159.70 61.17 REMARK 500 6 ALA A 130 120.65 65.63 REMARK 500 6 ALA A 171 94.27 -175.22 REMARK 500 6 ALA A 173 52.99 -166.79 REMARK 500 6 PRO A 178 177.24 -54.65 REMARK 500 6 ALA A 179 86.12 58.97 REMARK 500 6 ALA A 182 30.30 -99.70 REMARK 500 6 GLU A 184 -75.52 -81.33 REMARK 500 7 GLU A 128 167.83 61.37 REMARK 500 7 VAL A 129 -46.60 -164.94 REMARK 500 7 ALA A 130 118.11 62.97 REMARK 500 7 ALA A 171 94.70 -161.51 REMARK 500 7 LYS A 172 -42.97 -177.30 REMARK 500 7 THR A 174 -46.30 -150.35 REMARK 500 7 PRO A 176 175.17 -52.26 REMARK 500 7 ALA A 177 78.60 -174.57 REMARK 500 7 PRO A 178 -168.47 -70.25 REMARK 500 7 VAL A 183 85.77 66.67 REMARK 500 8 ALA A 130 122.69 66.12 REMARK 500 8 ALA A 171 -55.72 -146.50 REMARK 500 8 LYS A 172 168.01 65.34 REMARK 500 8 ALA A 175 -55.10 -178.88 REMARK 500 8 PRO A 176 179.96 -53.19 REMARK 500 8 ALA A 177 78.11 -172.20 REMARK 500 8 ALA A 179 -64.73 -170.99 REMARK 500 8 PRO A 180 -73.43 -61.07 REMARK 500 8 LYS A 181 -39.02 179.53 REMARK 500 8 ALA A 182 124.02 62.76 REMARK 500 9 ALA A 171 -61.58 -148.00 REMARK 500 9 LYS A 172 -71.89 67.60 REMARK 500 9 PRO A 180 -175.89 -69.52 REMARK 500 10 SER A 126 75.31 -107.36 REMARK 500 10 VAL A 129 -61.68 -96.93 REMARK 500 10 ALA A 130 120.40 66.61 REMARK 500 10 ALA A 171 79.58 -170.96 REMARK 500 10 ALA A 173 41.93 -174.72 REMARK 500 10 THR A 174 95.33 -56.78 REMARK 500 10 ALA A 175 93.99 -163.61 REMARK 500 10 ALA A 179 119.64 -168.39 REMARK 500 10 VAL A 183 -40.56 -176.49 REMARK 500 10 LYS A 185 30.40 -140.76 REMARK 500 11 ALA A 130 133.07 62.24 REMARK 500 11 ALA A 171 90.93 -173.94 REMARK 500 11 ALA A 173 134.08 63.90 REMARK 500 11 ALA A 179 89.71 -159.14 REMARK 500 12 VAL A 129 -164.82 -168.43 REMARK 500 12 ALA A 175 78.58 58.77 REMARK 500 12 PRO A 176 82.79 -68.63 REMARK 500 12 ALA A 177 89.79 59.23 REMARK 500 12 PRO A 178 98.48 -51.59 REMARK 500 12 LYS A 185 -71.66 -128.03 REMARK 500 13 ARG A 127 176.04 60.65 REMARK 500 13 ALA A 171 90.48 175.53 REMARK 500 13 ALA A 177 -53.73 -176.85 REMARK 500 13 ALA A 179 92.69 62.17 REMARK 500 13 GLU A 184 -49.02 -136.32 REMARK 500 13 LYS A 185 -48.99 -137.58 REMARK 500 14 ARG A 127 -41.07 -173.19 REMARK 500 14 GLU A 128 -178.83 -56.96 REMARK 500 14 VAL A 129 -72.50 -60.03 REMARK 500 14 ALA A 130 126.14 61.96 REMARK 500 14 ALA A 171 96.27 -161.71 REMARK 500 14 ALA A 173 120.91 63.69 REMARK 500 14 ALA A 175 119.25 62.77 REMARK 500 14 PRO A 180 -73.79 -58.14 REMARK 500 14 GLU A 184 -47.90 -162.24 REMARK 500 15 ARG A 127 97.16 60.89 REMARK 500 15 VAL A 129 -177.96 -59.77 REMARK 500 15 ALA A 171 94.94 -176.59 REMARK 500 15 LYS A 172 -162.07 -100.81 REMARK 500 15 ALA A 175 77.47 -157.15 REMARK 500 15 ALA A 182 76.23 59.91 REMARK 500 15 LYS A 185 -45.62 -173.09 REMARK 500 16 VAL A 129 -164.39 -122.44 REMARK 500 16 ALA A 171 96.21 -161.33 REMARK 500 16 LYS A 172 -69.53 -166.82 REMARK 500 16 ALA A 173 -174.22 -171.68 REMARK 500 16 ALA A 177 86.33 56.65 REMARK 500 16 PRO A 178 174.29 -52.36 REMARK 500 16 ALA A 179 -55.55 -179.55 REMARK 500 16 GLU A 184 -60.38 -96.18 REMARK 500 17 GLU A 128 -45.78 -135.70 REMARK 500 17 ALA A 171 93.69 -176.66 REMARK 500 17 THR A 174 -62.12 -140.07 REMARK 500 17 ALA A 175 167.04 57.27 REMARK 500 17 ALA A 177 -62.11 -178.26 REMARK 500 17 PRO A 180 -172.97 -67.79 REMARK 500 17 LYS A 181 173.88 59.97 REMARK 500 17 ALA A 182 77.50 59.10 REMARK 500 18 SER A 126 73.85 -117.57 REMARK 500 18 ARG A 127 101.72 -160.83 REMARK 500 18 GLU A 128 -48.22 -137.70 REMARK 500 18 VAL A 129 -167.73 44.41 REMARK 500 18 ALA A 171 88.15 -164.44 REMARK 500 18 PRO A 176 -78.17 -61.12 REMARK 500 18 ALA A 177 91.37 178.74 REMARK 500 18 ALA A 179 -57.35 -173.50 REMARK 500 18 ALA A 182 29.95 -146.20 REMARK 500 19 ALA A 171 86.31 -153.89 REMARK 500 19 LYS A 172 -73.41 -176.68 REMARK 500 19 ALA A 173 -79.40 61.64 REMARK 500 19 THR A 174 27.53 48.35 REMARK 500 19 ALA A 179 109.86 -58.87 REMARK 500 20 ALA A 177 158.79 61.81 REMARK 500 20 PRO A 180 170.45 -50.98 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 REMARK 900 MESOPHILIC, THERMOPHILIC, AND HYPERTHERMOPHILIC REMARK 900 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 REMARK 900 AND HYPERTHERMOPHILIC BACTERIA FOLD BY REMARK 900 ULTRAFAST, APPARENTLY TWO-STATE TRANSITIONS 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: 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 DBREF 1W4I A 125 126 PDB 1W4I 1W4I 125 126 DBREF 1W4I A 127 186 UNP Q8ZUR6 Q8ZUR6 93 152 SEQRES 1 A 62 GLY SER ARG GLU VAL ALA ALA MET PRO ALA ALA ARG ARG SEQRES 2 A 62 LEU ALA LYS GLU LEU GLY ILE ASP LEU SER LYS VAL LYS SEQRES 3 A 62 GLY THR GLY PRO GLY GLY VAL ILE THR VAL GLU ASP VAL SEQRES 4 A 62 LYS ARG TYR ALA GLU GLU THR ALA LYS ALA THR ALA PRO SEQRES 5 A 62 ALA PRO ALA PRO LYS ALA VAL GLU LYS ALA HELIX 1 1 MET A 132 GLY A 143 1 12 HELIX 2 2 ASP A 145 VAL A 149 5 5 HELIX 3 3 THR A 159 LYS A 172 1 14 SHEET 1 AA 2 ALA A 130 ALA A 131 0 SHEET 2 AA 2 VAL A 157 ILE A 158 1 N ILE A 158 O ALA A 130 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