Ligand · U88
U88 · 5-nitro-1,3-thiazole
U88, 5-nitro-1,3-thiazole (C3 H2 N2 O2 S, 130.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.
- Component
- U88
- Formula
- C3 H2 N2 O2 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
U88 in 4 structures; the first of them:
- 7NBY · Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro)… · U88 A401 · binds HIS41, CYS44, MET49, PRO52, TYR54, ASP187, ARG188, GLN189
- 7TUU · Structure of the SARS-CoV-2 main protease in complex with halicin · U88 A401 · binds PRO39, HIS41, CYS145, HIS164, MET165, ASP187, ARG188
- 7NBY · Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLPRO/MPRO)… · U88 A401 · binds HIS41, CYS44, MET49, PRO52, TYR54, ASP187, ARG188, GLN189
- 7TUU · Structure of the SARS-cov-2 main protease in complex with halicin · U88 A401 · binds PRO39, HIS41, CYS145, HIS164, MET165, ASP187, ARG188
Residues it binds most
CYS 22, HIS 8, LYS 6, TYR 10, ARG 8, ASN 8, ASP 8, LEU 8, MET 8, GLY 6 (residue and the binding sites it lines).
Found with
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