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Structure of PDB 1bvy Chain F Binding Site BS01

Receptor Information
>1bvy Chain F (length=152) Species: 1404 (Priestia megaterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTPLLVLYGSNMGTAEGTARDLADIAMSKGFAPQVATLDSHAGNLPREGA
VLIVTASYNGHPPDNAKQFVDWLDQASADEVKGVRYSVFGCGDKNWATTY
QKVPAFIDETLAAKGAENIADRGEADASDDFEGTYEEWREHMWSDVAAYF
NL
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 chain1bvy Chain F Residue 1002 [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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PDB1bvy Structure of a cytochrome P450-redox partner electron-transfer complex.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		S488 N489 M490 G491 T492 A493 A534 S535 Y536 N537 G570 D571 W574 T577 Y578
Binding residue
(residue number reindexed from 1)		S10 N11 M12 G13 T14 A15 A56 S57 Y58 N59 G92 D93 W96 T99 Y100
Annotation score2
Enzymatic activity
Enzyme Commision number 1.14.14.1: unspecific monooxygenase.
1.6.2.4: NADPH--hemoprotein reductase.
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1bvy, PDBe:1bvy, PDBj:1bvy
PDBsum1bvy
PubMed10051560
UniProtP14779|CPXB_PRIM2 Bifunctional cytochrome P450/NADPH--P450 reductase (Gene Name=cyp102A1)

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