PDB Entry (1w3t)
PDB ID: 1w3t Resolution: 2.1 Å Exp. Method: X-RAY DIFFRACTION
PMID: 15265860 DOI: 10.1074/jbc.M407702200
Protein
Protein Name: 2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase
Uniprot ID/ACC: O54288 (KDGA_SACSO) Organism: Saccharolobus solfataricus (Sulfolobus solfataricus)
Gene Symbol: - Gene ID: 44128913
Protein Class: LYASE
Ligand
Ligand Name:   2‐keto‐3‐deoxy galactonate
Canonical SMILES:   OC[C@@H](O)[C@H](O)CC(=O)C(O)=O
Standard InChI:   InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1
HET Code:   RSH PubChem:   194024
DrugBank:   - ChEMBL:   -
Molecular Formula:   C6H10O6 Mol. Weight:   178.04774 logP:   -2.2557
HBD:   4 HBA:   5
#Rotatable Bonds:   5 TPSA:   115.06
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Imine Condensation LYS 155 A 12.82 1.75 Ketone
Binding Affinity
-