Structure of PDB 7f6x Chain A Binding Site BS01

Receptor Information
>7f6x Chain A (length=118) Species: 1888 (Streptomyces albus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAEIVTALPVPLAVAGHHQPAPFYLTADMFGGLPVQLAGGELSKLVGKPV
AAPHVHEVDELYFLVSPEPGQARIEVHLDGVRHELVSPAVMRIPAGSEHC
FLTLEATVGSYCFGILVG
Ligand information
Ligand IDI3A
InChIInChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
InChIKeyOLNJUISKUQQNIM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C=O
CACTVS 3.341O=Cc1c[nH]c2ccccc12
ACDLabs 10.04O=Cc2c1ccccc1nc2
FormulaC9 H7 N O
Name1H-INDOLE-3-CARBALDEHYDE
ChEMBLCHEMBL147741
DrugBank
ZINCZINC000000087959
PDB chain7f6x Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7f6x Structural and Mechanistic Bases for StnK3 and Its Mutant-MediatedLewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Resolution2.16 Å
Binding residue
(original residue number in PDB)		P32 G49 V60
Binding residue
(residue number reindexed from 1)		P22 G39 V50
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7f6x, PDBe:7f6x, PDBj:7f6x
PDBsum7f6x
PubMed
UniProtL7PIL3

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