2025-03-29_00000087
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ligand
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7I4N
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-0036670-001 (A71EV2A-x4721);
X-ray diffraction 1.31Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B23
InChI=1S/C13H16N2O2S/c1-18-11-5-3-2-4-10(11)8-13(17)15-7-6-14-12(16)9-15/h2-5H,6-9H2,1H3,(H,14,16)
InChI=1S/C13H16N2O2S/c1-18-11-5-3-2-4-10(11)8-13(17)15-7-6-14-12(16)9-15/h2-5H,6-9H2,1H3,(H,14,16)
SMILES: CSc1ccccc1CC(=O)N2CCNC(=O)C2
CSc1ccccc1CC(=O)N2CCNC(=O)C2
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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