2025-02-22_00000143
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ligand
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7HX8
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-0032772-001 (A71EV2A-x4207);
X-ray diffraction 1.70Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BP0
InChI=1S/C17H23N3O4/c1-11(21)19-15(13-7-3-4-8-14(13)24-2)17(23)20-9-5-6-12(10-20)16(18)22/h3-4,7-8,12,15H,5-6,9-10H2,1-2H3,(H2,18,22)(H,19,21)/t12-,15+/m0/s1
InChI=1S/C17H23N3O4/c1-11(21)19-15(13-7-3-4-8-14(13)24-2)17(23)20-9-5-6-12(10-20)16(18)22/h3-4,7-8,12,15H,5-6,9-10H2,1-2H3,(H2,18,22)(H,19,21)/t12-,15+/m0/s1
SMILES: CC(=O)N[C@H](c1ccccc1OC)C(=O)N2CCC[C@@H](C2)C(=O)N
CC(=O)N[C@H](c1ccccc1OC)C(=O)N2CCC[C@@H](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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