PDB Entry (6erc) |
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PDB ID: 6erc | Resolution: 2.5 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 29242189 | DOI: 10.1074/jbc.RA117.000463 | |
Protein |
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Protein Name: Peroxinectin A | |
Uniprot ID/ACC: Q6TMK4 (POXA_DICDI) | Organism: Dictyostelium discoideum (Slime mold) |
Gene Symbol: poxA | Gene ID: 8620966 |
Protein Class: OXIDOREDUCTASE |
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 | THR 142 | A | 52.03 | - | Hemiacetal |
Binding Affinity |
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