PDB Entry (3kzh)
PDB ID: 3kzh Resolution: 2.45 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: -
Protein
Protein Name: Probable sugar kinase
Uniprot ID/ACC: Q8XKB8 (Q8XKB8_CLOPE) Organism: Clostridium perfringens (strain 13 / Type A)
Gene Symbol: CPE1482 Gene ID: 29571166
Protein Class: TRANSFERASE
Ligand
Ligand Name:   beta-D-glucose
Canonical SMILES:   OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O
Standard InChI:   InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
HET Code:   BGC PubChem:   64689
DrugBank:   DB02379 ChEMBL:   CHEMBL1614854
Molecular Formula:   C6H12O6 Mol. Weight:   180.06339 logP:   -3.2214
HBD:   5 HBA:   6
#Rotatable Bonds:   1 TPSA:   110.38
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Nucleophilic Aliphatic Subsititution LYS 187 A 11.72 8.88 Hemiacetal
Binding Affinity
-