Structure of PDB 3h50 Chain A Binding Site BS02

Receptor Information
>3h50 Chain A (length=114) Species: 340 (Xanthomonas campestris pv. campestris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMQYATLELNNAFKVLFSLRQVQAAEMVIAPGDREGGPDNRHRGADQWLF
VVDGAGEAIVDGHTQALQAGSLIAIERGQAHEIRNTGDTPLKTVNFYHPP
AYDAQGEPLPAGEG
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain3h50 Chain A Residue 118 [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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PDB3h50 Conformational changes associated with the binding of zinc acetate at the putative active site of XcTcmJ, a cupin from Xanthomonas campestris pv. campestris.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E34 G35 N39 Q46 H80
Binding residue
(residue number reindexed from 1)		E35 G36 N40 Q47 H81
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:3h50, PDBe:3h50, PDBj:3h50
PDBsum3h50
PubMed20944231
UniProtQ8PBM3

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