2025-03-29_00000110
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ligand
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7I5A
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-0036771-001 (A71EV2A-x4809);
X-ray diffraction 1.45Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B3R
InChI=1S/C16H23NO2S/c1-20-15-7-3-2-6-14(15)11-16(19)17-9-4-5-13(12-17)8-10-18/h2-3,6-7,13,18H,4-5,8-12H2,1H3/t13-/m1/s1
InChI=1S/C16H23NO2S/c1-20-15-7-3-2-6-14(15)11-16(19)17-9-4-5-13(12-17)8-10-18/h2-3,6-7,13,18H,4-5,8-12H2,1H3/t13-/m1/s1
SMILES: CSc1ccccc1CC(=O)N2CCC[C@@H](C2)CCO
CSc1ccccc1CC(=O)N2CCC[C@@H](C2)CCO
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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