PDB Entry (2gt4) |
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PDB ID: 2gt4 | Resolution: 2.3 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 16981689 | DOI: 10.1021/bi061239g | |
Protein |
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Protein Name: GDP-mannose mannosyl hydrolase | |
Uniprot ID/ACC: P32056 (GMM_ECOLI) | Organism: Escherichia coli (strain K12) |
Gene Symbol: gmm | Gene ID: 946559 |
Protein Class: HYDROLASE |
Ligand |
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Ligand Name: beta-D-mannose | ||
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: BMA | PubChem: 439680 | |
DrugBank: - | ChEMBL: CHEMBL1231395 | |
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 | ASN 39 | B | 92.41 | - | Hemiacetal |
Binding Affinity |
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