PDB Entry (3qrh) |
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PDB ID: 3qrh | Resolution: 2.0 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: - | |
Protein |
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Protein Name: Fructose-bisphosphate aldolase | |
Uniprot ID/ACC: Q8SSM8 (ALF_ENCCU) | Organism: Encephalitozoon cuniculi (strain GB-M1) (Microsporidian parasite) |
Gene Symbol: ECU01_0240 | Gene ID: 860198 |
Protein Class: LYASE |
Ligand |
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Ligand Name: dihydroxyacetonephosphate | ||
Canonical SMILES: OCC(=O)COP(O)(O)=O | ||
Standard InChI: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8) | ||
HET Code: G3H | PubChem: 668 | |
DrugBank: DB04326 | ChEMBL: CHEMBL1161998 | |
Molecular Formula: C3H7O6P | Mol. Weight: 169.99803 | logP: -1.3429 |
HBD: 3 | HBA: 4 | |
#Rotatable Bonds: 4 | TPSA: 104.06 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Hemiaminalization | LYS 221 | A | 10.47 | 8.61 | Ketone |
Binding Affinity |
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