Structure of PDB 7wdh Chain B

Receptor sequence

>7wdhB (length=445) Species: 1404 (Priestia megaterium)

IKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRY
LSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLATSWTHEKNWKKAHN
ILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLD
TIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPNKRQF
QEDIKVMNDLVDKIIADRQSDDLLTHMLNGKDPETGEPLDDENIRYQIIT
FLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQ
LKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQL
HRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEA
TLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPL

3D structure

• PDB: 7wdh Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
• Chain: B
• Resolution: 1.68 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 A87 W96 F261 A264 G265 T268 F331 P392 F393 G394 R398 C400 I401 G402 A406	K68 L85 A86 W95 F251 A254 G255 T258 F321 P382 F383 G384 R388 C390 I391 G392 A396
BS02	IC6	B	P25 Y51 A328 A330	P24 Y50 A318 A320
BS03	IC6	B	L20 R47 Y51 S72 Q73 A74 A328 A330	L19 R46 Y50 S71 Q72 A73 A318 A320
BS04	IPH	B	I385 F390	I375 F380
BS05	IPH	B	I263 A264 E267	I253 A254 E257
BS06	IPH	B	R147 S164 Q169 P170	R146 S163 Q168 P169

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