2025-03-29_00000161
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ligand
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7I6P
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-0037779-001 (A71EV2A-x4998);
X-ray diffraction 1.37Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B45
InChI=1S/C11H14N2O2S2/c1-16-9-6-17-5-7(9)2-10(14)13-3-8(4-13)11(12)15/h5-6,8H,2-4H2,1H3,(H2,12,15)
InChI=1S/C11H14N2O2S2/c1-16-9-6-17-5-7(9)2-10(14)13-3-8(4-13)11(12)15/h5-6,8H,2-4H2,1H3,(H2,12,15)
SMILES: CSc1cscc1CC(=O)N2CC(C2)C(=O)N
CSc1cscc1CC(=O)N2CC(C2)C(=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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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