Structure of PDB 1kbi Chain B Binding Site BS01

Receptor Information
>1kbi Chain B (length=405) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGETKEDIARKEQLKSLLPPLDNIINLYDFEYLASQTLTKQAWAYYSSGA
NDEVTHRENHNAYHRIFFKPKILVDVRKVDISTDMLGSHVDVPFYVSATA
LCKLGNPLEGEKDVARGCGQGVTKVPQMISTLASCSPEEIIEAAPSDKQI
QWYQLYVNSDRKITDDLVKNVEKLGVKALFVTVDAPSLGQREKDMKLKFS
NTKTNVEESQGASRALSKFIDPSLTWKDIEELKKKTKLPIVIKGVQRTED
VIKAAEIGVSGVVLSNHGGRQLDFSRAPIEVLAETMPILEQRNLKDKLEV
FVDGGVRRGTDVLKALCLGAKGVGLGRPFLYANSCYGRNGVEKAIEILRD
EIEMSMRLLGVTSIAELKPDLLDLSTLKARTVGVPNDVLYNEVYEGPTLT
EFEDA
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 chain1kbi Chain B Residue 870 [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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PDB1kbi Crystallographic study of the recombinant flavin-binding domain of Baker's yeast flavocytochrome b(2): comparison with the intact wild-type enzyme.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y143 Y144 S195 A196 T197 A198 S228 Q252 T280 K349 H373 G374 R376 D409 G410 G411 R413 L431 G432 R433
Binding residue
(residue number reindexed from 1)		Y45 Y46 S97 A98 T99 A100 S130 Q154 T182 K243 H267 G268 R270 D303 G304 G305 R307 L325 G326 R327
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S228 Y254 T280 D282 K349 H373
Catalytic site (residue number reindexed from 1) S130 Y156 T182 D184 K243 H267
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:1kbi, PDBe:1kbi, PDBj:1kbi
PDBsum1kbi
PubMed11914072
UniProtP00175|CYB2_YEAST L-lactate dehydrogenase (cytochrome) (Gene Name=CYB2)

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