2025-03-29_00000090
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ligand
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7I4Q
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-0036805-001 (A71EV2A-x4735);
X-ray diffraction 1.22Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B26
InChI=1S/C16H19N3OS/c1-21-15-7-3-2-5-12(15)9-16(20)19-8-4-6-14(19)13-10-17-11-18-13/h2-3,5,7,10-11,14H,4,6,8-9H2,1H3,(H,17,18)/t14-/m1/s1
InChI=1S/C16H19N3OS/c1-21-15-7-3-2-5-12(15)9-16(20)19-8-4-6-14(19)13-10-17-11-18-13/h2-3,5,7,10-11,14H,4,6,8-9H2,1H3,(H,17,18)/t14-/m1/s1
SMILES: CSc1ccccc1CC(=O)N2CCC[C@@H]2c3cnc[nH]3
CSc1ccccc1CC(=O)N2CCC[C@@H]2c3cnc[nH]3
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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