2025-03-29_00000180
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ligand
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7I78
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-0038214-001 (A71EV2A-x5177);
X-ray diffraction 2.09Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B5Y
InChI=1S/C16H20N2O2S/c1-21-14-5-3-2-4-10(14)8-15(19)18-9-12(16(17)20)6-11-7-13(11)18/h2-5,11-13H,6-9H2,1H3,(H2,17,20)/t11?,12-,13+/m0/s1
InChI=1S/C16H20N2O2S/c1-21-14-5-3-2-4-10(14)8-15(19)18-9-12(16(17)20)6-11-7-13(11)18/h2-5,11-13H,6-9H2,1H3,(H2,17,20)/t11?,12-,13+/m0/s1
SMILES: CSc1ccccc1CC(=O)N2C[C@H](C[C@@H]3[C@H]2C3)C(=O)N
CSc1ccccc1CC(=O)N2C[C@H](C[C@@H]3[C@H]2C3)C(=O)N
Non polymer #3
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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