2025-03-29_00000201
|
ligand
|
7I7T
Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0038528-001 (A71EV2A-x5289);
X-ray diffraction 1.50Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B54
InChI=1S/C17H25N3O3S/c1-11(2)24-14-8-4-7-13(23-3)15(14)19-17(22)20-9-5-6-12(10-20)16(18)21/h4,7-8,11-12H,5-6,9-10H2,1-3H3,(H2,18,21)(H,19,22)/t12-/m0/s1
InChI=1S/C17H25N3O3S/c1-11(2)24-14-8-4-7-13(23-3)15(14)19-17(22)20-9-5-6-12(10-20)16(18)21/h4,7-8,11-12H,5-6,9-10H2,1-3H3,(H2,18,21)(H,19,22)/t12-/m0/s1
SMILES: CC(C)Sc1cccc(c1NC(=O)N2CCC[C@@H](C2)C(=O)N)OC
CC(C)Sc1cccc(c1NC(=O)N2CCC[C@@H](C2)C(=O)N)OC
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%