HEADER OXIDOREDUCTASE(FLAVOPROTEIN) 25-AUG-94 1OYB 1OYB 2 COMPND OLD YELLOW ENZYME (OXIDIZED) (OYE) (E.C.1.6.99.1) 1OYB 3 COMPND 2 COMPLEXED WITH P-HYDROXYBENZALDEHYDE 1OYB 4 SOURCE BREWER'S YEAST (SACCHAROMYCES CARLSBERGENSIS) RECOMBINANT 1OYB 5 SOURCE 2 FORM EXPRESSED IN (ESCHERICHIA COLI), PLASMID: PET 1OYB 6 SOURCE 3 GENE: OYE1 1OYB 7 AUTHOR K.M.FOX,P.A.KARPLUS 1OYB 8 REVDAT 2 08-MAR-95 1OYBA 1 JRNL REMARK 1OYBA 1 REVDAT 1 30-NOV-94 1OYB 0 1OYB 9 JRNL AUTH K.M.FOX,P.A.KARPLUS 1OYB 10 JRNL TITL OLD YELLOW ENZYME AT 2 ANGSTROMS RESOLUTION: 1OYB 11 JRNL TITL 2 OVERALL STRUCTURE, LIGAND BINDING AND COMPARISON 1OYB 12 JRNL TITL 3 WITH RELATED FLAVOPROTEINS 1OYB 13 JRNL REF STRUCTURE (LONDON) V. 2 1089 1994 1OYBA 2 JRNL REFN ASTM UK ISSN 0969-2126 2005 1OYBA 3 REMARK 1 1OYB 16 REMARK 2 1OYB 17 REMARK 2 RESOLUTION. 2.0 ANGSTROMS. 1OYB 18 REMARK 3 1OYB 19 REMARK 3 REFINEMENT. 1OYB 20 REMARK 3 PROGRAM X-PLOR 1OYB 21 REMARK 3 AUTHORS BRUNGER 1OYB 22 REMARK 3 R VALUE 0.173 1OYB 23 REMARK 3 FREE R VALUE 0.236 1OYB 24 REMARK 3 NUMBER OF REFLECTIONS 59739 1OYB 25 REMARK 3 1OYB 26 REMARK 3 DATA COLLECTION. 1OYB 27 REMARK 3 NUMBER OF UNIQUE REFLECTIONS 26249 1OYB 28 REMARK 3 COMPLETENESS OF DATA 79.9 % 1OYB 29 REMARK 3 1OYB 30 REMARK 3 SOLVENT CONTENT (VS) 43. % 1OYB 31 REMARK 3 1OYB 32 REMARK 3 NUMBER OF ATOMS USED IN REFINEMENT. 1OYB 33 REMARK 3 NUMBER OF PROTEIN ATOMS 3178 1OYB 34 REMARK 3 NUMBER OF NUCLEIC ACID ATOMS 0 1OYB 35 REMARK 3 NUMBER OF SOLVENT ATOMS 126 1OYB 36 REMARK 3 1OYB 37 REMARK 4 1OYB 38 REMARK 4 CROSS REFERENCE TO SEQUENCE DATABASE 1OYB 39 REMARK 4 SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME 1OYB 40 REMARK 4 OYE1_YEAST 1OYBA 4 REMARK 4 1OYB 42 REMARK 4 THE FOLLOWING RESIDUES ARE MISSING FROM THE N-TERMINUS 1OYB 43 REMARK 4 SEQUENCE NUMBER IS THAT FROM SWISS-PROT ENTRY 1OYB 44 REMARK 4 MET 1 1OYB 45 REMARK 5 1OYBA 5 REMARK 5 CORRECTION. UPDATE JRNL REFERENCE TO REFLECT PUBLICATION. 1OYBA 6 REMARK 5 CORRECT SWISSPROT IDCODE IN REMARK 4. 08-MAR-95. 1OYBA 7 SEQRES 1 400 MET SER PHE VAL LYS ASP PHE LYS PRO GLN ALA LEU GLY 1OYB 46 SEQRES 2 400 ASP THR ASN LEU PHE LYS PRO ILE LYS ILE GLY ASN ASN 1OYB 47 SEQRES 3 400 GLU LEU LEU HIS ARG ALA VAL ILE PRO PRO LEU THR ARG 1OYB 48 SEQRES 4 400 MET ARG ALA LEU HIS PRO GLY ASN ILE PRO ASN ARG ASP 1OYB 49 SEQRES 5 400 TRP ALA VAL GLU TYR TYR THR GLN ARG ALA GLN ARG PRO 1OYB 50 SEQRES 6 400 GLY THR MET ILE ILE THR GLU GLY ALA PHE ILE SER PRO 1OYB 51 SEQRES 7 400 GLN ALA GLY GLY TYR ASP ASN ALA PRO GLY VAL TRP SER 1OYB 52 SEQRES 8 400 GLU GLU GLN MET VAL GLU TRP THR LYS ILE PHE ASN ALA 1OYB 53 SEQRES 9 400 ILE HIS GLU LYS LYS SER PHE VAL TRP VAL GLN LEU TRP 1OYB 54 SEQRES 10 400 VAL LEU GLY TRP ALA ALA PHE PRO ASP ASN LEU ALA ARG 1OYB 55 SEQRES 11 400 ASP GLY LEU ARG TYR ASP SER ALA SER ASP ASN VAL PHE 1OYB 56 SEQRES 12 400 MET ASP ALA GLU GLN GLU ALA LYS ALA LYS LYS ALA ASN 1OYB 57 SEQRES 13 400 ASN PRO GLN HIS SER LEU THR LYS ASP GLU ILE LYS GLN 1OYB 58 SEQRES 14 400 TYR ILE LYS GLU TYR VAL GLN ALA ALA LYS ASN SER ILE 1OYB 59 SEQRES 15 400 ALA ALA GLY ALA ASP GLY VAL GLU ILE HIS SER ALA ASN 1OYB 60 SEQRES 16 400 GLY TYR LEU LEU ASN GLN PHE LEU ASP PRO HIS SER ASN 1OYB 61 SEQRES 17 400 THR ARG THR ASP GLU TYR GLY GLY SER ILE GLU ASN ARG 1OYB 62 SEQRES 18 400 ALA ARG PHE THR LEU GLU VAL VAL ASP ALA LEU VAL GLU 1OYB 63 SEQRES 19 400 ALA ILE GLY HIS GLU LYS VAL GLY LEU ARG LEU SER PRO 1OYB 64 SEQRES 20 400 TYR GLY VAL PHE ASN SER MET SER GLY GLY ALA GLU THR 1OYB 65 SEQRES 21 400 GLY ILE VAL ALA GLN TYR ALA TYR VAL ALA GLY GLU LEU 1OYB 66 SEQRES 22 400 GLU LYS ARG ALA LYS ALA GLY LYS ARG LEU ALA PHE VAL 1OYB 67 SEQRES 23 400 HIS LEU VAL GLU PRO ARG VAL THR ASN PRO PHE LEU THR 1OYB 68 SEQRES 24 400 GLU GLY GLU GLY GLU TYR GLU GLY GLY SER ASN ASP PHE 1OYB 69 SEQRES 25 400 VAL TYR SER ILE TRP LYS GLY PRO VAL ILE ARG ALA GLY 1OYB 70 SEQRES 26 400 ASN PHE ALA LEU HIS PRO GLU VAL VAL ARG GLU GLU VAL 1OYB 71 SEQRES 27 400 LYS ASP LYS ARG THR LEU ILE GLY TYR GLY ARG PHE PHE 1OYB 72 SEQRES 28 400 ILE SER ASN PRO ASP LEU VAL ASP ARG LEU GLU LYS GLY 1OYB 73 SEQRES 29 400 LEU PRO LEU ASN LYS TYR ASP ARG ASP THR PHE TYR GLN 1OYB 74 SEQRES 30 400 MET SER ALA HIS GLY TYR ILE ASP TYR PRO THR TYR GLU 1OYB 75 SEQRES 31 400 GLU ALA LEU LYS LEU GLY TRP ASP LYS LYS 1OYB 76 FTNOTE 1 1OYB 77 FTNOTE 1 CIS PROLINE - PRO 44 1OYB 78 HET FMN 401 35 FLAVIN MONONUCLEOTIDE PROSTHETIC GROUP 1OYB 79 HET HBA 402 9 P-HYDROXYBENZALDEHYDE 1OYB 80 FORMUL 2 FMN C17 H21 N4 O9 P1 1OYB 81 FORMUL 3 HBA C7 H6 O2 1OYB 82 FORMUL 4 HOH *126(H2 O1) 1OYB 83 CRYST1 142.880 142.880 43.010 90.00 90.00 90.00 P 43 21 2 8 1OYB 84 ORIGX1 1.000000 0.000000 0.000000 0.00000 1OYB 85 ORIGX2 0.000000 1.000000 0.000000 0.00000 1OYB 86 ORIGX3 0.000000 0.000000 1.000000 0.00000 1OYB 87 SCALE1 0.006999 0.000000 0.000000 0.00000 1OYB 88 SCALE2 0.000000 0.006999 0.000000 0.00000 1OYB 89 SCALE3 0.000000 0.000000 0.023250 0.00000 1OYB 90