PDB Entry (4ba0) |
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PDB ID: 4ba0 | Resolution: 1.85 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 23132856 | DOI: 10.1074/JBC.M112.416511 | |
Protein |
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Protein Name: Oligosaccharide 4-alpha-D-glucosyltransferase | |
Uniprot ID/ACC: B3PEE6 (OL4AG_CELJU) | Organism: Cellvibrio japonicus (strain Ueda107) (Pseudomonas fluorescens subsp. cellulosa) |
Gene Symbol: agd31B | Gene ID: - |
Protein Class: HYDROLASE |
Ligand |
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Ligand Name: 5-fluoro-beta-D-glucopyranose | ||
Canonical SMILES: OC[C@]1(F)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O | ||
Standard InChI: InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6-/m1/s1 | ||
HET Code: 5GF | PubChem: 66563684 | |
DrugBank: - | ChEMBL: - | |
Molecular Formula: C6H11FO6 | Mol. Weight: 198.05397 | logP: -2.9242 |
HBD: 5 | HBA: 6 | |
#Rotatable Bonds: 1 | TPSA: 110.38 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Nucleophilic Acyl Substitution | ASP 412 | A | 20.08 | 10.67 | Hemiacetal |
Binding Affinity |
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