Structure of PDB 2oz0 Chain B Binding Site BS01

Receptor Information
>2oz0 Chain B (length=396) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APGETKEDIARKEQLKSLLPPLDNIINLYDFEYLASQTLTKQAWAYYSSG
ANDEVTHRENHNAYHRIFFKPKILVDVRKVDISTDMLGSHVDVPFYVSAT
ALCKLGNPLEGEKDVARGCGQGVTKVPQMISTLASCSPEEIIEAAPSDKQ
IQWYQLYVNSDRKITDDLVKNVEKLGVKALFVTVDAPSLGQREKDMKLKF
SNGASRALSKFIDPSLTWKDIEELKKKTKLPIVIKGVQRTEDVIKAAEIG
VSGVVLSNQGGRQLDFSRAPIEVLAETMPILEQRNLKDKLEVFVDGGVRR
GTDVLKALCLGAKGVGLGRPFLYANSCYGRNGVEKAIEILRDEIEMSMRL
LGVTSIAELKPDLLDLSTLKARTVGVPNDVLYNEVYEGPTLTEFED
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain2oz0 Chain B Residue 570 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2oz0 Mechanistic and structural studies of H373Q flavocytochrome b2: effects of mutating the active site base.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y144 S195 A196 T197 A198 S228 Q252 T280 K349 R376 D409 G410 R413 L431 G432 R433
Binding residue
(residue number reindexed from 1)		Y47 S98 A99 T100 A101 S131 Q155 T183 K235 R262 D295 G296 R299 L317 G318 R319
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S228 Y254 T280 D282 K349 Q373
Catalytic site (residue number reindexed from 1) S131 Y157 T183 D185 K235 Q259
Enzyme Commision number 1.1.2.3: L-lactate dehydrogenase (cytochrome).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:2oz0, PDBe:2oz0, PDBj:2oz0
PDBsum2oz0
PubMed17563122
UniProtP00175|CYB2_YEAST L-lactate dehydrogenase (cytochrome) (Gene Name=CYB2)

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