Ligand · 6V9

6V9 · 2-methyl-1,3-thiazole-5-carboxylic acid

6V9, 2-methyl-1,3-thiazole-5-carboxylic acid (C5 H5 N O2 S, 143.2 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component: 6V9
Formula: C5 H5 N O2 S
Class: ligand
Structures: 7
PDB entries: 5

Binding sites

6V9 in 7 structures; the first of them:

5RU4 · PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in… · 6V9 A201 · binds ILE23, GLY48, VAL49, ALA52, PRO125, GLY130, PHE156
6M2T · The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in… · 6V9 A602 · binds ALA227, TYR228, ALA302, GLY303, GLY327, SER328, THR329, LEU332 and 3 more
5LEY · Human 20S proteasome complex with oprozomib at 1.9 ångström · 6V9 c1 · binds THR21, ALA22, ASP125, PRO126, VAL127, OAS2, OAS3
5LEZ · Human 20S proteasome complex with oprozomib in mg-acetate at 2.2 ångström · 6V9 c1 · binds THR21, ALA22, ASP125, PRO126, VAL127, OAS2, OAS3
5M32 · Human 26S proteasome in complex with oprozomib · 6V9 t1 · binds PRO126, VAL127
5RU4 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · 6V9 A201 · binds ILE23, GLY48, VAL49, ALA52, PRO125, GLY130, PHE156
6M2T · The crystal structure of benzoate coenzyme a ligase double mutant (H333A/I334A) in… · 6V9 A602 · binds ALA227, TYR228, ALA302, GLY303, GLY327, SER328, THR329, LEU332 and 3 more

Residues it binds most

ALA 15, GLY 10, THR 12, OAS 6, LEU 8, LYS 8, PRO 8, SER 8, TYR 8, VAL 8 (residue and the binding sites it lines).

Found with

6VA · (3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol
AMP · Adenosine monophosphate
K · Potassium ion
MG · Magnesium ion
1PE · Pentaethylene glycol
7C9 · O-methyl-L-serine
ADP · Adenosine-5'-diphosphate
CL · Chloride ion
ACT · Acetate ion

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