Structure of PDB 7eup Chain B Binding Site BS02

Receptor Information
>7eup Chain B (length=114) Species: 1888 (Streptomyces albus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEIVTALPVPLAVAQPAPFYLTADMFGGLPVQLAGGELSKLVGKPVAAPH
VHEVDELYFLVSPEPGQARIEVHLDGVRHELVSPAVMRIPAGSEHCFLTL
EATVGSYCFGILVG
Ligand information
Ligand IDJCX
InChIInChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9+/m1/s1
InChIKeyIRZQDMYEJPNDEN-APPZFPTMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(c1ccccc1)C(C(=O)O)N
OpenEye OEToolkits 2.0.7C[C@H](c1ccccc1)[C@@H](C(=O)O)N
CACTVS 3.385C[C@@H]([C@H](N)C(O)=O)c1ccccc1
CACTVS 3.385C[CH]([CH](N)C(O)=O)c1ccccc1
FormulaC10 H13 N O2
Name(2S,3R)-2-azanyl-3-phenyl-butanoic acid
ChEMBL
DrugBank
ZINCZINC000000406112
PDB chain7eup 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7eup Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Resolution2.11043 Å
Binding residue
(original residue number in PDB)		G49 H64 H66 E70 Y72 F111 G124
Binding residue
(residue number reindexed from 1)		G35 H50 H52 E56 Y58 F97 G110
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:7eup, PDBe:7eup, PDBj:7eup
PDBsum7eup
PubMed
UniProtL7PIL3

[Back to BioLiP]