2025-03-29_00000130
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ligand
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7I5U
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-0036508-001 (A71EV2A-x4880);
X-ray diffraction 1.20Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B39
InChI=1S/C15H17N3O2/c16-15(20)12-2-4-14(19)18(9-12)8-10-1-3-13-11(7-10)5-6-17-13/h1,3,5-7,12,17H,2,4,8-9H2,(H2,16,20)/t12-/m0/s1
InChI=1S/C15H17N3O2/c16-15(20)12-2-4-14(19)18(9-12)8-10-1-3-13-11(7-10)5-6-17-13/h1,3,5-7,12,17H,2,4,8-9H2,(H2,16,20)/t12-/m0/s1
SMILES: c1cc2c(cc[nH]2)cc1CN3C[C@H](CCC3=O)C(=O)N
c1cc2c(cc[nH]2)cc1CN3C[C@H](CCC3=O)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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