Structure of PDB 4hgg Chain A

Receptor sequence
>4hggA (length=435) Species: 1404 (Priestia megaterium) [Search protein sequence]
KEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYL
SSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLATSWTHEKNWKKAHNI
LLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDT
IGLCGFNYRFNSFYRDQPHPFITSMVRALDERMQFQEDIKVMNDLVDKII
ADRKASGEQSDDLLAHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTS
GLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNE
ALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDD
VEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKH
FDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPL
3D structure
PDB4hgg P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
ChainA
Resolution1.7 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) T248 F373 C380
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 A87 W96 F261 A264 G265 T268 F331 P392 F393 G394 R398 C400 I401 G402 A406 K67 L84 A85 W94 F241 A244 G245 T248 F311 P372 F373 G374 R378 C380 I381 G382 A386
BS02 SYN A A264 T268 A328 A244 T248 A308
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:4hgg, PDBe:4hgg, PDBj:4hgg
PDBsum4hgg
PubMed23589805
UniProtP14779|CPXB_PRIM2 Bifunctional cytochrome P450/NADPH--P450 reductase (Gene Name=cyp102A1)

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