2025-03-29_00000197
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ligand
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7I7P
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-0038427-001 (A71EV2A-x5277);
X-ray diffraction 1.90Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B58
InChI=1S/C15H17ClN2O2/c16-12-4-2-1-3-11(12)5-13(19)18-8-10-6-15(7-10,9-18)14(17)20/h1-4,10H,5-9H2,(H2,17,20)/t10-,15+
InChI=1S/C15H17ClN2O2/c16-12-4-2-1-3-11(12)5-13(19)18-8-10-6-15(7-10,9-18)14(17)20/h1-4,10H,5-9H2,(H2,17,20)/t10-,15+
SMILES: c1ccc(c(c1)CC(=O)N2CC3CC(C3)(C2)C(=O)N)Cl
c1ccc(c(c1)CC(=O)N2CC3CC(C3)(C2)C(=O)N)Cl
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
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Model
Reference
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