2025-03-29_00000064
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ligand
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7I40
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-0036538-001 (A71EV2A-x4608);
X-ray diffraction 1.79Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B2D
InChI=1S/C15H22N4O2/c1-18-9-12-11(5-2-6-13(12)17-18)15(21)19-7-3-4-10(8-19)14(16)20/h9-11H,2-8H2,1H3,(H2,16,20)/t10-,11+/m0/s1
InChI=1S/C15H22N4O2/c1-18-9-12-11(5-2-6-13(12)17-18)15(21)19-7-3-4-10(8-19)14(16)20/h9-11H,2-8H2,1H3,(H2,16,20)/t10-,11+/m0/s1
SMILES: Cn1cc2c(n1)CCC[C@@H]2C(=O)N3CCC[C@@H](C3)C(=O)N
Cn1cc2c(n1)CCC[C@@H]2C(=O)N3CCC[C@@H](C3)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
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Model
Reference
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