2025-03-29_00000044
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ligand
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7I3G
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-0035396-001 (A71EV2A-x4426);
X-ray diffraction 1.62Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B1O
InChI=1S/C16H16N4O/c1-3-14(17-9-8-12-10-21-11-18-12)16-13-6-4-5-7-15(13)20(2)19-16/h1,4-7,10-11,14,17H,8-9H2,2H3
InChI=1S/C16H16N4O/c1-3-14(17-9-8-12-10-21-11-18-12)16-13-6-4-5-7-15(13)20(2)19-16/h1,4-7,10-11,14,17H,8-9H2,2H3
SMILES: Cn1c2ccccc2c(n1)[C@H](C#C)NCCc3cocn3
Cn1c2ccccc2c(n1)[C@H](C#C)NCCc3cocn3
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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