PDB Entry (5ui3) |
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PDB ID: 5ui3 | Resolution: 2.0 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: - | |
Protein |
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Protein Name: 4-hydroxy-tetrahydrodipicolinate synthase | |
Uniprot ID/ACC: A8I3W3 (A8I3W3_CHLRE) | Organism: Chlamydomonas reinhardtii (Chlamydomonas smithii) |
Gene Symbol: DPS1 | Gene ID: 5725512 |
Protein Class: LYASE |
Ligand |
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Ligand Name: alpha-ketoglutarate | ||
Canonical SMILES: OC(=O)CCC(=O)C(O)=O | ||
Standard InChI: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) | ||
HET Code: AKG | PubChem: 51 | |
DrugBank: DB08845 | ChEMBL: CHEMBL1686 | |
Molecular Formula: C5H6O5 | Mol. Weight: 146.02153 | logP: -0.4951 |
HBD: 2 | HBA: 3 | |
#Rotatable Bonds: 4 | TPSA: 91.67 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Imine Condensation | LYS 182 | D | 9.5 | 8.97 | Ketone |
Binding Affinity |
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