PDB Entry (4adu)
PDB ID: 4adu Resolution: 2.44 Å Exp. Method: X-RAY DIFFRACTION
PMID: 22244765 DOI: 10.1016/J.STR.2011.11.015
Protein
Protein Name: PYRIDOXINE BIOSYNTHETIC ENZYME PDX1 HOMOLOGUE, PUTATIVE
Uniprot ID/ACC: - Organism: Plasmodium berghei
Gene Symbol: - Gene ID: -
Protein Class: TRANSFERASE
Ligand
Ligand Name:   RIBOSE-5-PHOSPHATE (linear form)
Canonical SMILES:   O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)C=O
Standard InChI:   InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
HET Code:   R5P PubChem:   77982
DrugBank:   DB02053 ChEMBL:   CHEMBL1235597
Molecular Formula:   C5H11O8P Mol. Weight:   230.01915 logP:   -2.6227
HBD:   5 HBA:   6
#Rotatable Bonds:   6 TPSA:   144.52
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Imine Condensation LYS 84 A 13.78 9.89 Ketone
Binding Affinity
-