2025-03-29_00000136
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ligand
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7I60
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-0036541-001 (A71EV2A-x4899);
X-ray diffraction 1.43Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B4N
InChI=1S/C12H18N4O4S/c1-20-12-10(5-2-6-14-12)15-21(18,19)16-7-3-4-9(8-16)11(13)17/h2,5-6,9,15H,3-4,7-8H2,1H3,(H2,13,17)/t9-/m0/s1
InChI=1S/C12H18N4O4S/c1-20-12-10(5-2-6-14-12)15-21(18,19)16-7-3-4-9(8-16)11(13)17/h2,5-6,9,15H,3-4,7-8H2,1H3,(H2,13,17)/t9-/m0/s1
SMILES: COc1c(cccn1)NS(=O)(=O)N2CCC[C@@H](C2)C(=O)N
COc1c(cccn1)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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%