Structure of PDB 3bal Chain A Binding Site BS01

Receptor Information
>3bal Chain A (length=149) Species: 40214 (Acinetobacter johnsonii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDYCNKKHTAEEYVKISDNNYVPFPEAFSDGGITWQLLHSSPETSSWTAI
FNCPAGSSFASHIHAGPGEYFLTKGKMEVRGGEQEGGSTAYAPSYGFESS
GALHGKTFFPVESQFYMTFLGPLNFIDDNGKVIASIGWAEAQGAWLATK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3bal Chain A Residue 154 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bal Crystal Structure of an Acetylacetone Dioxygenase from Acinetobacter johnsonii
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H62 H64 H104
Binding residue
(residue number reindexed from 1)		H62 H64 H104
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.50: acetylacetone-cleaving enzyme.
Gene Ontology
Molecular Function
GO:0033752 acetylacetone-cleaving enzyme activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:3bal, PDBe:3bal, PDBj:3bal
PDBsum3bal
PubMed
UniProtQ8GNT2|DKE1_ACIJO Acetylacetone-cleaving enzyme (Gene Name=dke1)

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