Structure of PDB 7z98 Chain A Binding Site BS02

Receptor Information

>7z98 Chain A (length=411) Species: 595537 (Variovorax paradoxus EPS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KRIAIVGAGQSGLQLGLGLLAAGYEVTMFSNRTGEDIRRGKVMSSQCMFD
TSLQIERDLGLDHWASDCPTVDGIGLAVPHPEQKGAKVIDWAARLNASAQ
SVDQRLKIPAWMDEFQKKGGELVFKDAGIDELEACTQSHDLTLVASGKGE
ISKLFERDAHKSPYDKPQRALALTYVKGMAPREPFSAVCMNLIPGVGEYF
VFPALTTTGPCEIMVFEGVPGGPMDCWADVKTPEEHLARSKWILDTFTPW
EAERCKDIELTDDNGILAGRFAPTVRKPVATLPSGRKVLGLADVVVLNDP
ITGQGSNNAAKCADTYLKSILARGDGAADAAWMQQTFDRYWFGYAQWVTQ
WTNMLLAPPPPHVLNLLGSAGAVPPLASAFANGFDDPRTFFPWFADAAES
ERYIATCAAVA

Ligand information

Ligand ID

16R

InChI

InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

HNKJADCVZUBCPG-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01 CACTVS 3.385 OpenEye OEToolkits 1.7.6	CSc1ccccc1

Formula

C7 H8 S

Name

(methylsulfanyl)benzene;
methyl phenyl sulfide

PDB chain

7z98 Chain A Residue 504 [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	7z98 Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Resolution	1.73 Å
Binding residue (original residue number in PDB)	C48 V189 F201 V216 T303 G304 F385
Binding residue (residue number reindexed from 1)	C47 V188 F200 V215 T302 G303 F384
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding

View graph for
Molecular Function

External links

PDB	RCSB:7z98, PDBe:7z98, PDBj:7z98
PDBsum	7z98
PubMed	36762980
UniProt	E6V140

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