2025-03-29_00000092
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ligand
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7I4S
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-0036816-001 (A71EV2A-x4739);
X-ray diffraction 1.41Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B28
InChI=1S/C16H20N2O2S/c1-21-13-5-3-2-4-10(13)8-14(19)18-7-6-11-12(9-18)15(11)16(17)20/h2-5,11-12,15H,6-9H2,1H3,(H2,17,20)/t11-,12+,15+/m1/s1
InChI=1S/C16H20N2O2S/c1-21-13-5-3-2-4-10(13)8-14(19)18-7-6-11-12(9-18)15(11)16(17)20/h2-5,11-12,15H,6-9H2,1H3,(H2,17,20)/t11-,12+,15+/m1/s1
SMILES: CSc1ccccc1CC(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C(=O)N
CSc1ccccc1CC(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C(=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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