PDB Entry (1jz4) |
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PDB ID: 1jz4 | Resolution: 2.1 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 11732897 | DOI: 10.1021/bi011727i | |
Protein |
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Protein Name: Beta-galactosidase | |
Uniprot ID/ACC: P00722 (BGAL_ECOLI) | Organism: Escherichia coli (strain K12) |
Gene Symbol: lacZ | Gene ID: 945006 |
Protein Class: HYDROLASE |
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 537 | D | 9.27 | 7.6 | Hemiacetal |
Binding Affinity |
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