Structure of PDB 7wyg Chain B Binding Site BS02

Receptor Information

>7wyg Chain B (length=411) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PHDKSLDNSLTLLKEGYLFIKNRTERYNSDLFQARLLGKNFICMTGAEAA
KVFYDTDRFQRQNALPKRVQKSIFGVNAIHGMDGSAHIHRKMLFLSLMTP
PHQKRLAELMTEEWKAAVTRWEKADEVVLFEEAKEILCRVACYWAGVPLK
ETEVKERADDFIDMVDAFGAVGPRHWKGRRARPRAEEWIEVMIEDARAGL
LKTTSGTALHEMAFHTQEDGSQLDSRMAAIELINVLRPIVAISYFLVFSA
LALHEHPKYKEWLRSGNSREREMFVQEVRRYYPFIPFLGALVKKDFVWNN
CEFKKGTSVLLDLYGTNHDPRLWDHPDEFRPERFAEREENLFDMIPQGGG
HAEKGHRCPGEGITIEVMKASLDFLVHQIEYDVPEQSLHYSLARMPSLPE
SGFVMSGIRRK

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

7wyg Chain B Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7wyg Biocatalytic Enantioselective beta-Hydroxylation of Unactivated C-H Bonds in Aliphatic Carboxylic Acids.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	H94 T221
Binding residue (residue number reindexed from 1)	H89 T216
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.11.2.4: fatty-acid peroxygenase.

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
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:7wyg, PDBe:7wyg, PDBj:7wyg
PDBsum	7wyg
PubMed	35536725
UniProt	O31440\|CYPC_BACSU Fatty-acid peroxygenase (Gene Name=cypC)

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