PDB Entry (1dc4)
PDB ID: 1dc4 Resolution: 2.5 Å Exp. Method: X-RAY DIFFRACTION
PMID: 10978154 DOI: 10.1021/bi9927080
Protein
Protein Name: Glyceraldehyde-3-phosphate dehydrogenase A
Uniprot ID/ACC: P0A9B2 (G3P1_ECOLI) Organism: Escherichia coli (strain K12)
Gene Symbol: gapA Gene ID: 58462327
Protein Class: OXIDOREDUCTASE
Ligand
Ligand Name:   gylceraldehyde-3-phosphate
Canonical SMILES:   O[C@H](COP(O)(O)=O)C=O
Standard InChI:   InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
HET Code:   G3P PubChem:   439168
DrugBank:   DB02263 ChEMBL:   CHEMBL1232918
Molecular Formula:   C3H7O6P Mol. Weight:   169.99803 logP:   -1.3445
HBD:   3 HBA:   4
#Rotatable Bonds:   4 TPSA:   104.06
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Hemi(thio)acetalization CYS 149 A 26.18 17.5 Aldehyde
Binding Affinity
-