Structure of PDB 7wdi Chain B Binding Site BS04

Receptor Information
>7wdi Chain B (length=439) Species: 1404 (Priestia megaterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRY
LSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLKTSWTHEKNWKKAHN
ILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLD
TIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRENKRQFQEDIK
VMNDLVDKIIADRSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGH
ETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGM
VLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTI
WGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGM
MLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPL
Ligand information
Ligand IDHOA
InChIInChI=1S/H3NO/c1-2/h2H,1H2
InChIKeyAVXURJPOCDRRFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		NO
ACDLabs 10.04ON
FormulaH3 N O
NameHYDROXYAMINE
ChEMBLCHEMBL1191361
DrugBank
ZINC
PDB chain7wdi Chain B Residue 504 [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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PDB7wdi Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K87 A264 T268
Binding residue
(residue number reindexed from 1)		K86 A248 T252
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.14.1: unspecific monooxygenase.
1.6.2.4: NADPH--hemoprotein reductase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:7wdi, PDBe:7wdi, PDBj:7wdi
PDBsum7wdi
PubMed
UniProtP14779|CPXB_PRIM2 Bifunctional cytochrome P450/NADPH--P450 reductase (Gene Name=cyp102A1)

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