Structure of PDB 7wdi Chain B

Receptor sequence

>7wdiB (length=439) Species: 1404 (Priestia megaterium)

IKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRY
LSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLKTSWTHEKNWKKAHN
ILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLD
TIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRENKRQFQEDIK
VMNDLVDKIIADRSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGH
ETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGM
VLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTI
WGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGM
MLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPL

3D structure

• PDB: 7wdi Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
• Chain: B
• Resolution: 2.1 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 K87 W96 F107 F261 A264 G265 T268 T269 F331 P392 F393 R398 C400 I401 G402 A406	K68 L85 K86 W95 F106 F245 A248 G249 T252 T253 F315 P376 F377 R382 C384 I385 G386 A390
BS02	IC6	B	P25 Y51 K87 M185 A328 M354	P24 Y50 K86 M184 A312 M338
BS03	IC6	B	L20 F42 R47 Y51 S72 Q73 A74 M354	L19 F41 R46 Y50 S71 Q72 A73 M338
BS04	HOA	B	K87 A264 T268	K86 A248 T252

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