PDB Entry (5f4s)
PDB ID: 5f4s Resolution: 1.72 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:   Fructose-1,6-bisphosphate
Canonical SMILES:   O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O
Standard InChI:   InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
HET Code:   P6F PubChem:   84951
DrugBank:   DB13863 ChEMBL:   CHEMBL1235112
Molecular Formula:   C6H14O12P2 Mol. Weight:   339.99606 logP:   -3.1432
HBD:   7 HBA:   8
#Rotatable Bonds:   9 TPSA:   211.28
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Imine Condensation LYS 205 A 10.86 8.59 Ketone
Binding Affinity
-