2025-03-29_00000040
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ligand
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7I3C
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-0034439-001 (A71EV2A-x3938);
X-ray diffraction 1.15Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B1K
InChI=1S/C13H22N2O3/c1-13(6-2-3-8-18-13)12(17)15-7-4-5-10(9-15)11(14)16/h10H,2-9H2,1H3,(H2,14,16)/t10-,13+/m0/s1
InChI=1S/C13H22N2O3/c1-13(6-2-3-8-18-13)12(17)15-7-4-5-10(9-15)11(14)16/h10H,2-9H2,1H3,(H2,14,16)/t10-,13+/m0/s1
SMILES: C[C@@]1(CCCCO1)C(=O)N2CCC[C@@H](C2)C(=O)N
C[C@@]1(CCCCO1)C(=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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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