PDB Entry (4gik) |
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PDB ID: 4gik | Resolution: 2.19 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 23066817 | DOI: 10.1021/bi3006829 | |
Protein |
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Protein Name: Pseudouridine-5'-phosphate glycosidase | |
Uniprot ID/ACC: P33025 (PSUG_ECOLI) | Organism: Escherichia coli (strain K12) |
Gene Symbol: psuG | Gene ID: 946699 |
Protein Class: HYDROLASE |
Ligand |
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Ligand Name: RIBOSE-5-PHOSPHATE (linear form) | ||
Canonical SMILES: O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)C=O | ||
Standard InChI: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1 | ||
HET Code: R5P | PubChem: 77982 | |
DrugBank: DB02053 | ChEMBL: CHEMBL1235597 | |
Molecular Formula: C5H11O8P | Mol. Weight: 230.01915 | logP: -2.6227 |
HBD: 5 | HBA: 6 | |
#Rotatable Bonds: 6 | TPSA: 144.52 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Imine Condensation | LYS 166 | A | 33.28 | - | Ketone |
Binding Affinity |
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