Structure of PDB 2oz0 Chain A Binding Site BS02

Receptor Information
>2oz0 Chain A (length=492) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKLDMNKQKISPAEVAKHNKPDDCWVVINGYVYDLTRFLPNHPGGQDVIK
FNAGKDVTAIFEPLHAPNVIDKYIAPEKKLGPLQGSMPPELVCPPYAPGE
TKEDIARKEQLKSLLPPLDNIINLYDFEYLASQTLTKQAWAYYSSGANDE
VTHRENHNAYHRIFFKPKILVDVRKVDISTDMLGSHVDVPFYVSATALCK
LGNPLEGEKDVARGCGQGVTKVPQMISTLASCSPEEIIEAAPSDKQIQWY
QLYVNSDRKITDDLVKNVEKLGVKALFVTVDAPSLGQREKDMKLKFSNGA
SRALSKFIDPSLTWKDIEELKKKTKLPIVIKGVQRTEDVIKAAEIGVSGV
VLSNQGGRQLDFSRAPIEVLAETMPILEQRNLKDKLEVFVDGGVRRGTDV
LKALCLGAKGVGLGRPFLYANSCYGRNGVEKAIEILRDEIEMSMRLLGVT
SIAELKPDLLDLSTLKARTVGVPNDVLYNEVYEGPTLTEFED
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 A Residue 569 [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 Y254 T280 K349 Q373 R376 D409 G410 G411 R413 G432 R433
Binding residue
(residue number reindexed from 1)		Y143 S194 A195 T196 A197 S227 Q251 Y253 T279 K331 Q355 R358 D391 G392 G393 R395 G414 R415
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S228 Y254 T280 D282 K349 Q373
Catalytic site (residue number reindexed from 1) S227 Y253 T279 D281 K331 Q355
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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