PDB Entry (5ui3)
PDB ID: 5ui3 Resolution: 2.0 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: -
Protein
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
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
-