PDB Entry (6qud) |
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PDB ID: 6qud | Resolution: 2.1 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: - | |
Protein |
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Protein Name: Beta-galactosidase | |
Uniprot ID/ACC: Q9F4D5 (Q9F4D5_BIFBI) | Organism: Bifidobacterium bifidum |
Gene Symbol: - | Gene ID: - |
Protein Class: SIGNALING PROTEIN |
Ligand |
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Ligand Name: 2-deoxy-alpha-D-galactopyranose | ||
Canonical SMILES: O[C@@H]1C[C@@H](O)O[C@@H]([C@@H]1O)CO | ||
Standard InChI: InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1 | ||
HET Code: 2DG | PubChem: 446586 | |
DrugBank: DB04382 | ChEMBL: CHEMBL1229907 | |
Molecular Formula: C6H12O5 | Mol. Weight: 164.06847 | logP: -2.1922 |
HBD: 4 | HBA: 5 | |
#Rotatable Bonds: 1 | TPSA: 90.15 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Nucleophilic Acyl Substitution | GLU 565 | A | 15.98 | 8.37 | Hemiacetal |
Binding Affinity |
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