PDB Entry (5ff7)
PDB ID: 5ff7 Resolution: 2.09 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: -
Protein
Protein Name: Tagatose 1,6-diphosphate aldolase 2
Uniprot ID/ACC: P63705 (LACD2_STRP1) Organism: Streptococcus pyogenes serotype M1
Gene Symbol: lacD2 Gene ID: -
Protein Class: LYASE
Ligand
Ligand Name:   dihydroxyacetonephosphate
Canonical SMILES:   OCC(=O)COP(O)(O)=O
Standard InChI:   InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)
HET Code:   G3P PubChem:   668
DrugBank:   DB04326 ChEMBL:   CHEMBL1161998
Molecular Formula:   C3H7O6P Mol. Weight:   169.99803 logP:   -1.3429
HBD:   3 HBA:   4
#Rotatable Bonds:   4 TPSA:   104.06
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Imine Condensation LYS 205 A 9.72 9.66 Ketone
Binding Affinity
-