2025-02-22_00000065
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ligand
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7HUZ
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-0032050-001 (A71EV2A-x3264);
X-ray diffraction 1.44Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BQU
InChI=1S/C13H13N5O2/c1-18-12-10(3-2-5-14-12)11(17-18)13(19)15-6-4-9-7-20-8-16-9/h2-3,5,7-8H,4,6H2,1H3,(H,15,19)
InChI=1S/C13H13N5O2/c1-18-12-10(3-2-5-14-12)11(17-18)13(19)15-6-4-9-7-20-8-16-9/h2-3,5,7-8H,4,6H2,1H3,(H,15,19)
SMILES: Cn1c2c(cccn2)c(n1)C(=O)NCCc3cocn3
Cn1c2c(cccn2)c(n1)C(=O)NCCc3cocn3
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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