2025-03-29_00000060
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ligand
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7I3W
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-0036392-001 (A71EV2A-x4583);
X-ray diffraction 1.38Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B2A
InChI=1S/C16H21N3O2/c1-18-13-7-3-2-5-11(13)9-14(18)16(21)19-8-4-6-12(10-19)15(17)20/h2-3,5,7,12,14H,4,6,8-10H2,1H3,(H2,17,20)/t12-,14+/m0/s1
InChI=1S/C16H21N3O2/c1-18-13-7-3-2-5-11(13)9-14(18)16(21)19-8-4-6-12(10-19)15(17)20/h2-3,5,7,12,14H,4,6,8-10H2,1H3,(H2,17,20)/t12-,14+/m0/s1
SMILES: CN1c2ccccc2C[C@@H]1C(=O)N3CCC[C@@H](C3)C(=O)N
CN1c2ccccc2C[C@@H]1C(=O)N3CCC[C@@H](C3)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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