2025-02-22_00000202
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ligand
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7HYV
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-0036272-001 (A71EV2A-x4423);
X-ray diffraction 1.66Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BS8
InChI=1S/C15H22N2O3/c1-20-14-4-6-16-10-13(14)9-15(19)17-7-2-3-12(11-17)5-8-18/h4,6,10,12,18H,2-3,5,7-9,11H2,1H3/t12-/m1/s1
InChI=1S/C15H22N2O3/c1-20-14-4-6-16-10-13(14)9-15(19)17-7-2-3-12(11-17)5-8-18/h4,6,10,12,18H,2-3,5,7-9,11H2,1H3/t12-/m1/s1
SMILES: COc1ccncc1CC(=O)N2CCC[C@@H](C2)CCO
COc1ccncc1CC(=O)N2CCC[C@@H](C2)CCO
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
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Model
Reference
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