2025-03-29_00000195
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ligand
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7I7N
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-0038424-001 (A71EV2A-x5262);
X-ray diffraction 1.38Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B6A
InChI=1S/C16H20N2O2S/c1-21-13-5-3-2-4-12(13)6-15(20)18-10-11-7-16(18,8-11)9-14(17)19/h2-5,11H,6-10H2,1H3,(H2,17,19)/t11-,16+
InChI=1S/C16H20N2O2S/c1-21-13-5-3-2-4-12(13)6-15(20)18-10-11-7-16(18,8-11)9-14(17)19/h2-5,11H,6-10H2,1H3,(H2,17,19)/t11-,16+
SMILES: CSc1ccccc1CC(=O)N2CC3CC2(C3)CC(=O)N
CSc1ccccc1CC(=O)N2CC3CC2(C3)CC(=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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