Structure of PDB 7et9 Chain C Binding Site BS02

Receptor Information
>7et9 Chain C (length=254) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVNTVNYFKQKLKTEQQIGMWVGLADGYCAEIAANVGYDWLLIDGEHAPN
DVRSILAQLQSIAAYPSQAVVRPVSGDVPLIKQLLDIGAQTLLIPMVESA
EQAELMVKATRYPPEGIRGVGAALARASRWNNISDYLQTADEQICLLVQV
ESKKGLDNLDEILNVDGVDGIFIGPADLSAALGYRGNPGHEFVQNIIVQT
IQKIRAAGKAAGILSADEKLAKQYLELGTEFVAVGVDTSLLMKSMKQLLS
KFKN
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 chain7et9 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7et9 Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E151 D177
Binding residue
(residue number reindexed from 1)		E151 D177
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.52: 4-hydroxy-2-oxoheptanedioate aldolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
Biological Process
GO:0010124 phenylacetate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7et9, PDBe:7et9, PDBj:7et9
PDBsum7et9
PubMed34624314
UniProtA0A8I1ZEE8

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