Structure of PDB 7z94 Chain A Binding Site BS05

Receptor Information

>7z94 Chain A (length=413) Species: 595537 (Variovorax paradoxus EPS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HMKRIAIVGAGQSGLQLGLGLLAAGYEVTMFSNRTGEDIRRGKVMSSQCM
FDTSLQIERDLGLDHWASDCPTVDGIGLAVPHPEQKGAKVIDWAARLNAS
AQSVDQRLKIPAWMDEFQKKGGELVFKDAGIDELEACTQSHDLTLVASGK
GEISKLFERDAHKSPYDKPQRALALTYVKGMAPREPFSAVCFNLIPGVGE
YFVFPALTTTGPCEIMVFEGVPGGPMDCWADVKTPEEHLARSKWILDTFT
PWEAERCKDIELTDDNGILAGRFAPTVRKPVATLPSGRKVLGLADVVVLN
DPITGQGSNNAAKCADTYLKSILARGDGAADAAWMQQTFDRYWFGYAQWV
TQWTNMLLAPPPPHVLNLLGSAGAVPPLASAFANGFDDPRTFFPWFADAA
ESERYIATCAAVA

Ligand information

Ligand ID

IND

InChI

InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H

InChIKey

SIKJAQJRHWYJAI-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[nH]1ccc2ccccc12
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)cc[nH]2
ACDLabs 10.04	c1cccc2c1ccn2

Formula

C8 H7 N

Name

INDOLE

PDB chain

7z94 Chain A Residue 507 [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	7z94 Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Resolution	1.74 Å
Binding residue (original residue number in PDB)	K2 I4 D141 L142 I321 R324 G327 A329 W333
Binding residue (residue number reindexed from 1)	K3 I5 D142 L143 I322 R325 G328 A330 W334
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding

View graph for
Molecular Function

External links

PDB	RCSB:7z94, PDBe:7z94, PDBj:7z94
PDBsum	7z94
PubMed	36762980
UniProt	E6V140

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