2025-02-22_00000163
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ligand
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7HXS
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-0035344-001 (A71EV2A-x4311);
X-ray diffraction 1.29Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BS3
InChI=1S/C17H25N3O2/c1-17(2,3)13-8-4-5-9-14(13)19-16(22)20-10-6-7-12(11-20)15(18)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,18,21)(H,19,22)/t12-/m0/s1
InChI=1S/C17H25N3O2/c1-17(2,3)13-8-4-5-9-14(13)19-16(22)20-10-6-7-12(11-20)15(18)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,18,21)(H,19,22)/t12-/m0/s1
SMILES: CC(C)(C)c1ccccc1NC(=O)N2CCC[C@@H](C2)C(=O)N
CC(C)(C)c1ccccc1NC(=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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