PDB Entry (4s2c) |
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PDB ID: 4s2c | Resolution: 2.2 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 27050126 | DOI: 10.1107/S2059798316001170 | |
Protein |
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Protein Name: Transaldolase B | |
Uniprot ID/ACC: P0A870 (TALB_ECOLI) | Organism: Escherichia coli (strain K12) |
Gene Symbol: talB | Gene ID: 58461421 |
Protein Class: TRANSFERASE |
Ligand |
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Ligand Name: Fructose 6-Phosphate | ||
Canonical SMILES: OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O | ||
Standard InChI: InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1 | ||
HET Code: F6R | PubChem: 69507 | |
DrugBank: DB04493 | ChEMBL: CHEMBL1232642 | |
Molecular Formula: C6H13O9P | Mol. Weight: 260.02972 | logP: -3.2602 |
HBD: 6 | HBA: 7 | |
#Rotatable Bonds: 7 | TPSA: 164.75 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Imine Condensation | LYS 132 | A | 9.56 | 6.29 | Ketone |
Binding Affinity |
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