Structure of PDB 7wde Chain B

Receptor sequence

>7wdeB (length=449) Species: 1404 (Priestia megaterium)

KEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYL
SSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLLTSWTHEKNWKKAHNI
LLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDT
IGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRDDPAYDENKRQF
QEDIKVMNDLVDKIIADRKSGEQSDDLLTHMLNGKDPETGEPLDDENIRY
QIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYK
QVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVL
IPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFA
LHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPL

3D structure

• PDB: 7wde Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
• Chain: B
• Resolution: 2.11 Å

Enzymatic activity

• Enzyme Commision number: 1.14.14.1: unspecific monooxygenase.
  1.6.2.4: NADPH--hemoprotein reductase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	HEM	B	K69 L86 L87 W96 F261 A264 G265 T268 T269 F331 P392 F393 G394 R398 C400 I401 F405 A406	K67 L84 L85 W94 F255 A258 G259 T262 T263 F325 P386 F387 G388 R392 C394 I395 F399 A400
BS02	IC6	B	P25 Y51 L188 A328 A330 M354	P23 Y49 L186 A322 A324 M348
BS03	HOA	B	A264 T268	A258 T262
BS04	IC6	B	L20 R47 Y51 S72 Q73 A74 A330 M354	L18 R45 Y49 S70 Q71 A72 A324 M348

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

External links

• PDB: RCSB:7wde, PDBe:7wde, PDBj:7wde
• PDBsum: 7wde
• UniProt: P14779|CPXB_PRIM2 Bifunctional cytochrome P450/NADPH--P450 reductase (Gene Name=cyp102A1)