2025-02-22_00000123
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ligand
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7HWO
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-0034492-001 (A71EV2A-x3975);
X-ray diffraction 1.43Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BR4
InChI=1S/C19H27N3O2/c20-18(23)16-9-6-12-22(13-16)19(24)17(14-21-10-4-5-11-21)15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2,(H2,20,23)/t16-,17+/m0/s1
InChI=1S/C19H27N3O2/c20-18(23)16-9-6-12-22(13-16)19(24)17(14-21-10-4-5-11-21)15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2,(H2,20,23)/t16-,17+/m0/s1
SMILES: c1ccc(cc1)[C@H](CN2CCCC2)C(=O)N3CCC[C@@H](C3)C(=O)N
c1ccc(cc1)[C@H](CN2CCCC2)C(=O)N3CCC[C@@H](C3)C(=O)N
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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