Structure of PDB 7wdg Chain A

Receptor sequence

>7wdgA (length=448) Species: 1404 (Priestia megaterium)

IKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRY
LSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLLTSWTHEKNWKKAHN
ILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLD
TIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDEN
KRQFQEDIKVMNDLVDKIIADRSDDLLTHMLNGKDPETGEPLDDENIRYQ
IITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQ
VKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLI
PQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFAL
HEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPL

3D structure

• PDB: 7wdg Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
• Chain: A
• Resolution: 2.07 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	A	K69 L86 L87 W96 F261 A264 G265 T268 T269 A328 F331 P392 F393 R398 C400 I401 G402 F405 A406	K68 L85 L86 W95 F254 A257 G258 T261 T262 A321 F324 P385 F386 R391 C393 I394 G395 F398 A399
BS02	HOA	A	A264 T268	A257 T261
BS03	IPH	A	I263 E267	I256 E260
BS04	IC6	A	P25 Y51 M185 A330	P24 Y50 M184 A323
BS05	IC6	A	L20 R47 Y51 S72 Q73 A74 A330	L19 R46 Y50 S71 Q72 A73 A323
BS06	IPH	A	R147 S164 Q169 P170 H171	R146 S163 Q168 P169 H170
BS07	IPH	A	K309 G315 T411	K302 G308 T404

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:7wdg, PDBe:7wdg, PDBj:7wdg
• PDBsum: 7wdg
• PubMed: 36660956
• UniProt: P14779|CPXB_PRIM2 Bifunctional cytochrome P450/NADPH--P450 reductase (Gene Name=cyp102A1)