Structure of PDB 7wdd Chain B

Receptor sequence

>7wddB (length=436) Species: 1404 (Priestia megaterium)

KEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYL
SSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLKTSWTHEKNWKKAHNI
LLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDT
IGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKNKRQFQEDIKVMNDL
VDKIIADRKQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETT
SGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLN
EALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGD
DVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLK
HFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPL

3D structure

• PDB: 7wdd Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
• Chain: B
• Resolution: 2.21 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 A264 G265 T268 T269 P392 F393 G394 R398 C400 I401 G402 A406	K67 L84 K85 W94 F105 A245 G246 T249 T250 P373 F374 G375 R379 C381 I382 G383 A387
BS02	HOA	B	K87 A264	K85 A245
BS03	IC6	B	P25 Y51 K87 A328 A330 M354	P23 Y49 K85 A309 A311 M335
BS04	IC6	B	L20 R47 Y51 S72 Q73 A74 K87 M354	L18 R45 Y49 S70 Q71 A72 K85 M335
BS05	SYN	B	K129 R147 D168	K127 R145 D166
BS06	SYN	B	D68 H92 Y334	D66 H90 Y315
BS07	SYN	B	R79 G83	R77 G81

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