Ligand
Ligand Name:   2‐keto‐3‐deoxy galactonate
Ligand Type:   non-polymer
Ligand ID:   COVPDB1289 PubChem:   194024
Synonym(s):  
  •   2-keto-3-deoxy-d-gluconic acid
  • 2-dehydro-3-deoxy-d-galactonic acid
  • (4r,5r)-4,5,6-trihydroxy-2-oxohexanoic acid
  • 56742-44-0
  • 2-keto-3-deoxygluconate
  • 3-deoxy-d-threo-hex-2-ulosonic acid
  • 2-oxo-3-deoxygalactonic acid
  • 3-deoxy-d-threo-hexulosonic acid
  • schembl6137475
  • chebi:17028
  • 3-deoxy-d-threo hexulosonic acid
  • 3-deoxy-d-erythro-2-hexulosonate
  • zinc1532569
  • lmfa01050486
  • d-threo-2-hexulosonic acid, 3-deoxy-
  • c01216
  • q27102178
  • 2-keto-3-deoxy-d-galactonic acid lithium salt, analytical standard
show 17 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC[C@@H](O)[C@H](O)CC(=O)C(O)=O
Standard InChI:   InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1
Molecular Formula:   C6H10O6 Mol. Weight:   178.04774 logP:   -2.2557
HBD:   4 HBA:   5
#Rotatable Bonds:   5 TPSA:   115.06

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Putative 2-dehydro-3-deoxy-D-gluconate aldolase YagE P75682 (YAGE_ECOLI) Escherichia coli (strain K12) 3NEV RSH
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SHOW
2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase O54288 (KDGA_SACSO) Saccharolobus solfataricus (Sulfolobus solfataricus) 1W3T RSH
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SHOW