2025-03-29_00000196
|
ligand
|
7I7O
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-0038419-001 (A71EV2A-x5276);
X-ray diffraction 1.92Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B59
InChI=1S/C18H24N2O2S/c1-23-16-7-6-13(12-4-5-12)9-15(16)10-17(21)20-8-2-3-14(11-20)18(19)22/h6-7,9,12,14H,2-5,8,10-11H2,1H3,(H2,19,22)/t14-/m0/s1
InChI=1S/C18H24N2O2S/c1-23-16-7-6-13(12-4-5-12)9-15(16)10-17(21)20-8-2-3-14(11-20)18(19)22/h6-7,9,12,14H,2-5,8,10-11H2,1H3,(H2,19,22)/t14-/m0/s1
SMILES: CSc1ccc(cc1CC(=O)N2CCC[C@@H](C2)C(=O)N)C3CC3
CSc1ccc(cc1CC(=O)N2CCC[C@@H](C2)C(=O)N)C3CC3
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
Tube
Model
Reference
100%