2025-03-29_00000041
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ligand
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7I3D
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-0035342-001 (A71EV2A-x4320);
X-ray diffraction 1.15Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B1L
InChI=1S/C17H21N3O3/c18-17(23)13-2-1-7-20(10-13)16(22)9-11-3-5-14-12(8-11)4-6-15(21)19-14/h3,5,8,13H,1-2,4,6-7,9-10H2,(H2,18,23)(H,19,21)/t13-/m0/s1
InChI=1S/C17H21N3O3/c18-17(23)13-2-1-7-20(10-13)16(22)9-11-3-5-14-12(8-11)4-6-15(21)19-14/h3,5,8,13H,1-2,4,6-7,9-10H2,(H2,18,23)(H,19,21)/t13-/m0/s1
SMILES: c1cc2c(cc1CC(=O)N3CCC[C@@H](C3)C(=O)N)CCC(=O)N2
c1cc2c(cc1CC(=O)N3CCC[C@@H](C3)C(=O)N)CCC(=O)N2
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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