Structure of PDB 7euz Chain B Binding Site BS02

Receptor Information
>7euz Chain B (length=115) Species: 1888 (Streptomyces albus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEIVTALPVPLAVGHHQPAPFYLTADMFGGLPVQLAGGELSKLVKPVAAP
HVHEVDELYFLVSPEPGQARIEVHLDGVRHELVSPAVMRIPAGSEHCFLT
LEATVGSYCFGILVG
Ligand information
Ligand IDJD3
InChIInChI=1S/C12H14N2O2/c1-7(11(13)12(15)16)9-6-14-10-5-3-2-4-8(9)10/h2-7,11,14H,13H2,1H3,(H,15,16)/t7-,11+/m1/s1
InChIKeyCZSQAYAIWDEOSA-HQJQHLMTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(c1c[nH]c2c1cccc2)C(C(=O)O)N
OpenEye OEToolkits 2.0.7C[C@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N
CACTVS 3.385C[C@@H]([C@H](N)C(O)=O)c1c[nH]c2ccccc12
CACTVS 3.385C[CH]([CH](N)C(O)=O)c1c[nH]c2ccccc12
FormulaC12 H14 N2 O2
Name(2S,3R)-2-azanyl-3-(1H-indol-3-yl)butanoic acid
ChEMBL
DrugBank
ZINCZINC000001601575
PDB chain7euz Chain B Residue 202 [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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PDB7euz Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Resolution1.91028 Å
Binding residue
(original residue number in PDB)		G49 H64 H66 E70 Y72 H109 F111 C122
Binding residue
(residue number reindexed from 1)		G37 H51 H53 E57 Y59 H96 F98 C109
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:7euz, PDBe:7euz, PDBj:7euz
PDBsum7euz
PubMed
UniProtL7PIL3

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