2025-03-29_00000074
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ligand
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7I4A
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-0036620-001 (A71EV2A-x4684);
X-ray diffraction 1.50Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B2O
InChI=1S/C14H19N3O2S/c1-16(11-5-3-4-6-12(11)20-2)14(19)17-8-7-10(9-17)13(15)18/h3-6,10H,7-9H2,1-2H3,(H2,15,18)/t10-/m0/s1
InChI=1S/C14H19N3O2S/c1-16(11-5-3-4-6-12(11)20-2)14(19)17-8-7-10(9-17)13(15)18/h3-6,10H,7-9H2,1-2H3,(H2,15,18)/t10-/m0/s1
SMILES: CN(c1ccccc1SC)C(=O)N2CC[C@@H](C2)C(=O)N
CN(c1ccccc1SC)C(=O)N2CC[C@@H](C2)C(=O)N
Non polymer #3
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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