Covpdb









Ligand
Ligand Name:   Nickel-pincer nucleotide cofactor
Ligand Type:   non-polymer
Ligand ID:   COVPDB226 PubChem:   129626634
Synonym(s):  
  •   p2tmn
  • pyridinium-3,5-bisthiocarboxylate mononucleotide
  • pyridin-1-ium-3,5-bisthiocarboxylate mononucleotide
  • chebi:137398
  • c21767
  • pyridinium-3,5-bisthiocarboxylic acid mononucleotide
  • 1-(5-o-phosphono-beta-d-ribofuranosyl)-3,5-bis(sulfanylcarbonyl)pyridin-1-ium
show 6 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[n+]1cc(cc(c1)C(S)=O)C(O)=S
Standard InChI:   InChI=1S/C12H14NO9PS2/c14-8-7(4-21-23(18,19)20)22-10(9(8)15)13-2-5(11(16)24)1-6(3-13)12(17)25/h1-3,7-10,14-15H,4H2,(H3-,16,17,18,19,20,24,25)/p+1/t7-,8-,9-,10-/m1/s1
Molecular Formula:   C12H15NO9PS2+ Mol. Weight:   411.99203 logP:   -0.9939
HBD:   6 HBA:   7
#Rotatable Bonds:   6 TPSA:   157.63

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Lactate racemase F9USS9 (LARA_LACPL) Lactobacillus plantarum (strain ATCC BAA-793 / NCIMB 8826 / WCFS1) 6C1W 4EY
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SHOW
Lactate racemase F9USS9 (LARA_LACPL) Lactobacillus plantarum (strain ATCC BAA-793 / NCIMB 8826 / WCFS1) 6C1W ENJ
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SHOW