Structure of PDB 7eqk Chain A Binding Site BS03

Receptor Information
>7eqk Chain A (length=119) Species: 1888 (Streptomyces albus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAEIVTALPVPLAVAGHHQPAPFYLTADMFGGLPVQLAGGELSKLVGKPV
AAPHVHEVDELYFLVSPEPGQARIEVHLDGVRHELVSPAVMRIPAGSEHC
FLTLEATVGSYCFGILVGD
Ligand information
Ligand ID5RN
InChIInChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKeyVUIMBZIZZFSQEE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)c1c[nH]c2ccccc12
OpenEye OEToolkits 2.0.4CC(=O)c1c[nH]c2c1cccc2
FormulaC10 H9 N O
Name1-(1~{H}-indol-3-yl)ethanone
ChEMBLCHEMBL553944
DrugBank
ZINCZINC000000335859
PDB chain7eqk Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7eqk Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Resolution2.04001 Å
Binding residue
(original residue number in PDB)		G49 G50 L55 F111 C122 G124
Binding residue
(residue number reindexed from 1)		G39 G40 L45 F101 C112 G114
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7eqk, PDBe:7eqk, PDBj:7eqk
PDBsum7eqk
PubMed
UniProtL7PIL3

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