2025-03-29_00000172
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ligand
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7I70
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-0037815-001 (A71EV2A-x5082);
X-ray diffraction 1.29Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B5L
InChI=1S/C14H16N4O2/c15-8-12-5-1-4-11(17-12)7-13(19)18-6-2-3-10(9-18)14(16)20/h1,4-5,10H,2-3,6-7,9H2,(H2,16,20)/t10-/m0/s1
InChI=1S/C14H16N4O2/c15-8-12-5-1-4-11(17-12)7-13(19)18-6-2-3-10(9-18)14(16)20/h1,4-5,10H,2-3,6-7,9H2,(H2,16,20)/t10-/m0/s1
SMILES: c1cc(nc(c1)C#N)CC(=O)N2CCC[C@@H](C2)C(=O)N
c1cc(nc(c1)C#N)CC(=O)N2CCC[C@@H](C2)C(=O)N
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
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Model
Reference
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