PDB Entry (2qe0)
PDB ID: 2qe0 Resolution: 2.19 Å Exp. Method: X-RAY DIFFRACTION
PMID: 16503652 DOI: 10.1021/bi0515117
Protein
Protein Name: NADP-dependent glyceraldehyde-3-phosphate dehydrogenase
Uniprot ID/ACC: Q59931 (GAPN_STRMU) Organism: Streptococcus mutans serotype c (strain ATCC 700610 / UA159)
Gene Symbol: gapN Gene ID: -
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:   G3H 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 284 A 22.28 12.99 Aldehyde
Binding Affinity
-