Structure of PDB 7etf Chain C Binding Site BS01

Receptor Information
>7etf Chain C (length=253) 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
KFK
Ligand information
Ligand IDSSN
InChIInChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
InChIKeyUIUJIQZEACWQSV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(=O)CCC=O
ACDLabs 12.01O=CCCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C=O
FormulaC4 H6 O3
Name4-oxobutanoic acid;
Succinic semialdehyde
ChEMBLCHEMBL1615238
DrugBank
ZINCZINC000001532577
PDB chain7etf 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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PDB7etf Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G121 A123 L124
Binding residue
(residue number reindexed from 1)		G121 A123 L124
Annotation score5
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:7etf, PDBe:7etf, PDBj:7etf
PDBsum7etf
PubMed34624314
UniProtA0A8I1ZEE8

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