PDB Entry (3kzh) |
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PDB ID: 3kzh | Resolution: 2.45 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: - | |
Protein |
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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 |
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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 |
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