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HEADER ACYLTRANSFERASE 16-JAN-96 1GHJ TITLE SOLUTION STRUCTURE OF THE LIPOYL DOMAIN OF THE 2- TITLE 2 OXOGLUTARATE DEHYDROGENASE COMPLEX FROM AZOTOBACTER TITLE 3 VINELAND II, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: E2, THE DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE COMPND 3 COMPONENT OF 2-OXOGLUTARATE DEHYDROGENASE COMPLEX; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: LIPOYL DOMAIN, RESIDUES 1-79; COMPND 6 SYNONYM: E2; COMPND 7 EC: 2.3.1.61; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; SOURCE 3 EXPRESSION_SYSTEM: ESCHERICHIA COLI KEYWDS GLYCOLYSIS, TRANSFERASE, ACYLTRANSFERASE, LIPOYL EXPDTA NMR AUTHOR A.BERG,J.VERVOORT,A.DE KOK REVDAT 2 01-APR-03 1GHJ 1 JRNL REVDAT 1 11-JAN-97 1GHJ 0 JRNL AUTH A.BERG,J.VERVOORT,A.DE KOK JRNL TITL SOLUTION STRUCTURE OF THE LIPOYL DOMAIN OF THE JRNL TITL 2 2-OXOGLUTARATE DEHYDROGENASE COMPLEX FROM JRNL TITL 3 AZOTOBACTER VINELANDII. JRNL REF J.MOL.BIOL. V. 261 432 1996 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH A.BERG,O.SMITS,A.DE KOK,J.VERVOORT REMARK 1 TITL SEQUENTIAL 1H AND 15N NUCLEAR MAGNETIC RESONANCE REMARK 1 TITL 2 ASSIGNMENTS AND SECONDARY STRUCTURE OF THE LIPOYL REMARK 1 TITL 3 DOMAIN OF THE 2-OXOGLUTARATE DEHYDROGENASE COMPLEX REMARK 1 TITL 4 FROM AZOTOBACTER VINELANDII. EVIDENCE FOR HIGH REMARK 1 TITL 5 STRUCTURAL SIMILARITY WITH THE LIPOYL DOMAIN OF REMARK 1 TITL 6 THE PYRUVATE DEHYDROGENASE COMPLEX REMARK 1 REF EUR.J.BIOCHEM. V. 234 148 1995 REMARK 1 REFN ASTM EJBCAI IX ISSN 0014-2956 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 1GHJ COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-17) 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 : 25 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 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1GHK RELATED DB: PDB DBREF 1GHJ A 1 79 UNP P20708 ODO2_AZOVI 2 80 SEQRES 1 A 79 ALA ILE ASP ILE LYS ALA PRO THR PHE PRO GLU SER ILE SEQRES 2 A 79 ALA ASP GLY THR VAL ALA THR TRP HIS LYS LYS PRO GLY SEQRES 3 A 79 GLU ALA VAL LYS ARG ASP GLU LEU ILE VAL ASP ILE GLU SEQRES 4 A 79 THR ASP LYS VAL VAL MET GLU VAL LEU ALA GLU ALA ASP SEQRES 5 A 79 GLY VAL ILE ALA GLU ILE VAL LYS ASN GLU GLY ASP THR SEQRES 6 A 79 VAL LEU SER GLY GLU LEU LEU GLY LYS LEU THR GLU GLY SEQRES 7 A 79 GLY SHEET 1 A 4 ILE A 2 LYS A 5 0 SHEET 2 A 4 LEU A 71 THR A 76 -1 N LEU A 75 O ILE A 2 SHEET 3 A 4 GLY A 53 ILE A 58 -1 O VAL A 54 N THR A 76 SHEET 4 A 4 GLU A 27 VAL A 29 -1 N VAL A 29 O GLY A 53 SHEET 1 B 4 VAL A 44 LEU A 48 0 SHEET 2 B 4 LEU A 34 GLU A 39 -1 N ILE A 38 O MET A 45 SHEET 3 B 4 GLY A 16 TRP A 21 -1 O THR A 17 N GLU A 39 SHEET 4 B 4 ASP A 64 VAL A 66 -1 N VAL A 66 O GLY A 16 TURN 1 A THR A 40 VAL A 43 BETA-TURN 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