2025-02-22_00000161
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ligand
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7HXQ
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-0035369-001 (A71EV2A-x4309);
X-ray diffraction 1.60Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BS5
InChI=1S/C16H23N3O5S/c1-3-25(22,23)12-6-7-14(24-2)13(9-12)18-16(21)19-8-4-5-11(10-19)15(17)20/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2,17,20)(H,18,21)/t11-/m0/s1
InChI=1S/C16H23N3O5S/c1-3-25(22,23)12-6-7-14(24-2)13(9-12)18-16(21)19-8-4-5-11(10-19)15(17)20/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2,17,20)(H,18,21)/t11-/m0/s1
SMILES: CCS(=O)(=O)c1ccc(c(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N)OC
CCS(=O)(=O)c1ccc(c(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N)OC
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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