Structure of PDB 7zca Chain A Binding Site BS01

Receptor Information
>7zca 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
ISKLFERDAHKSPYDKPQRALALTYVKGMAPREPFSAVCMNLIPGVGEYA
VFPALTTTGPCEIMVFEGVPGGPMDCWADVKTPEEHLARSKWILDTFTPW
EAERCKDIELTDDNGILAGRFAPTVRKPVATLPSGRKVLGLADVVVLNDP
ITGQGSNNAAKCADTYLKSILARGDGAADAAWMQQTFDRYWFGYAQWVTQ
WTNMLLAPPPPHVLNLLGSAGAVPPLASAFANGFDDPRTFFPWFADAAES
ERYIATCAAVA
Ligand information
Ligand IDIKF
InChIInChI=1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/t15-/m0/s1
InChIKeyFBPGAWABXWMRAR-HNNXBMFYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=[S](Cc1ccccc1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)CS(=O)c2ccccc2
CACTVS 3.385O=[S@@](Cc1ccccc1)c2ccccc2
FormulaC13 H12 O S
Namephenylsulfinylmethylbenzene
ChEMBL
DrugBank
ZINCZINC000000173124
PDB chain7zca Chain A Residue 501 [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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PDB7zca Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		C48 E199 Y200 A201 V216 E218 P301 I302 G304 F385
Binding residue
(residue number reindexed from 1)		C47 E198 Y199 A200 V215 E217 P300 I301 G303 F384
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:7zca, PDBe:7zca, PDBj:7zca
PDBsum7zca
PubMed36762980
UniProtE6V140

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