Structure of PDB 7z99 Chain A Binding Site BS02

Receptor Information

>7z99 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

IH0

InChI

InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1

InChIKey

JXTGICXCHWMCPM-VIFPVBQESA-N

SMILES

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C[S@](=O)c1ccccc1
OpenEye OEToolkits 2.0.7	CS(=O)c1ccccc1
CACTVS 3.385	C[S](=O)c1ccccc1

Formula

C7 H8 O S

Name

[(S)-methylsulfinyl]benzene;
(S)-methyl phenylsulfoxide

PDB chain

7z99 Chain A Residue 502 [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	7z99 Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Resolution	1.92 Å
Binding residue (original residue number in PDB)	F201 F203 V216 I302 G304 F385
Binding residue (residue number reindexed from 1)	F200 F202 V215 I301 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:7z99, PDBe:7z99, PDBj:7z99
PDBsum	7z99
PubMed	36762980
UniProt	E6V140

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