Structure of PDB 7z94 Chain A Binding Site BS02

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 IDIND
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKeySIKJAQJRHWYJAI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1ccc2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cc[nH]2
ACDLabs 10.04c1cccc2c1ccn2
FormulaC8 H7 N
NameINDOLE
ChEMBLCHEMBL15844
DrugBankDB04532
ZINCZINC000014516984
PDB chain7z94 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7z94 Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		F201 P301 I302 G304
Binding residue
(residue number reindexed from 1)		F202 P302 I303 G305
Annotation score4
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
PDBsum7z94
PubMed36762980
UniProtE6V140

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