2025-03-29_00000173
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ligand
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7I71
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-0038170-001 (A71EV2A-x5090);
X-ray diffraction 1.34Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B5M
InChI=1S/C10H17N5O3S/c1-14-7-9(5-12-14)13-19(17,18)15-4-2-3-8(6-15)10(11)16/h5,7-8,13H,2-4,6H2,1H3,(H2,11,16)/t8-/m0/s1
InChI=1S/C10H17N5O3S/c1-14-7-9(5-12-14)13-19(17,18)15-4-2-3-8(6-15)10(11)16/h5,7-8,13H,2-4,6H2,1H3,(H2,11,16)/t8-/m0/s1
SMILES: Cn1cc(cn1)NS(=O)(=O)N2CCC[C@@H](C2)C(=O)N
Cn1cc(cn1)NS(=O)(=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
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Model
Reference
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