2025-02-22_00000127
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ligand
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7HWS
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-0034383-001 (A71EV2A-x3986);
X-ray diffraction 1.29Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BOO
InChI=1S/C20H22N2O2S/c21-19(23)16-10-7-13-22(14-16)20(24)18(15-8-3-1-4-9-15)25-17-11-5-2-6-12-17/h1-6,8-9,11-12,16,18H,7,10,13-14H2,(H2,21,23)/t16-,18+/m0/s1
InChI=1S/C20H22N2O2S/c21-19(23)16-10-7-13-22(14-16)20(24)18(15-8-3-1-4-9-15)25-17-11-5-2-6-12-17/h1-6,8-9,11-12,16,18H,7,10,13-14H2,(H2,21,23)/t16-,18+/m0/s1
SMILES: c1ccc(cc1)[C@@H](C(=O)N2CCC[C@@H](C2)C(=O)N)Sc3ccccc3
c1ccc(cc1)[C@@H](C(=O)N2CCC[C@@H](C2)C(=O)N)Sc3ccccc3
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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