Structure of PDB 5e9z Chain A

Receptor sequence
>5e9zA (length=452) Species: 1404 (Priestia megaterium) [Search protein sequence]
KEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGLVTRYL
SSQRLIKEACDGSRFDKNLSQALKFVRDIAGDGLVTSWTHEKNWKKAHNI
LLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPGDMTRLTLDT
IGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKQQRANPDDPACDENK
RQFQEDIKVMNDLVDKIIADRKASQSDDLLTHMLNGKDPETGEPLDDENI
RYQIITFLIAGHVTTSGLLSFALYFLVKNPYVLQKAAEEAARVLVDPVPS
YKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELM
VLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQ
FALHEATLVLSMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIP
LG
3D structure
PDB5e9z Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.
ChainA
Resolution2.23 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) T268 F393 C400
Catalytic site (residue number reindexed from 1) T264 F389 C396
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 PP9 A K69 L86 V87 W96 F261 A264 G265 T268 F331 P392 F393 R398 C400 I401 G402 A406 K67 L84 V85 W94 F257 A260 G261 T264 F327 P388 F389 R394 C396 I397 G398 A402
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

View graph for
Molecular Function
External links
PDB RCSB:5e9z, PDBe:5e9z, PDBj:5e9z
PDBsum5e9z
PubMed26757175
UniProtP14779|CPXB_PRIM2 Bifunctional cytochrome P450/NADPH--P450 reductase (Gene Name=cyp102A1)

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