Structure of PDB 7eue Chain A Binding Site BS02

Receptor Information
>7eue 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 ID3IO
InChIInChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
InChIKeyRSTKLPZEZYGQPY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)Cc1c[nH]c2ccccc12
FormulaC11 H9 N O3
Name3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID
ChEMBLCHEMBL485012
DrugBank
ZINCZINC000001532617
PDB chain7eue Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7eue Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Resolution2.08757 Å
Binding residue
(original residue number in PDB)		P32 G49 G50 E51 L55 V60 F111 C122
Binding residue
(residue number reindexed from 1)		P22 G39 G40 E41 L45 V50 F101 C112
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:7eue, PDBe:7eue, PDBj:7eue
PDBsum7eue
PubMed
UniProtL7PIL3

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