Structure of PDB 7z94 Chain A Binding Site BS04

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 504 [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)		M355 L356 A358 P360 P361 V364
Binding residue
(residue number reindexed from 1)		M356 L357 A359 P361 P362 V365
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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