PDB Entry (6g3z) |
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PDB ID: 6g3z | Resolution: 2.35 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 29812914 | DOI: 10.1021/acs.biochem.8b00535 | |
Protein |
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Protein Name: 2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase | |
Uniprot ID/ACC: O54288 (KDGA_SACSO) | Organism: Saccharolobus solfataricus (Sulfolobus solfataricus) |
Gene Symbol: - | Gene ID: 44128913 |
Protein Class: LYASE |
Ligand |
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Ligand Name: 2-keto-3-deoxy-6-phosphogluconate | ||
Canonical SMILES: O[C@H](COP(O)(O)=O)[C@@H](O)CC(=O)C(O)=O | ||
Standard InChI: InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1 | ||
HET Code: ELE | PubChem: 3080745 | |
DrugBank: - | ChEMBL: CHEMBL1162150 | |
Molecular Formula: C6H11O9P | Mol. Weight: 258.01407 | logP: -2.1387 |
HBD: 5 | HBA: 6 | |
#Rotatable Bonds: 7 | TPSA: 161.59 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Binding Affinity |
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