2025-02-22_00000199
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ligand
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7HYS
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-0036267-001 (A71EV2A-x4416);
X-ray diffraction 1.15Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BOL
InChI=1S/C19H25FN2O3/c20-16-7-5-14(6-8-16)12-19(9-1-2-11-25-19)18(24)22-10-3-4-15(13-22)17(21)23/h5-8,15H,1-4,9-13H2,(H2,21,23)/t15-,19+/m0/s1
InChI=1S/C19H25FN2O3/c20-16-7-5-14(6-8-16)12-19(9-1-2-11-25-19)18(24)22-10-3-4-15(13-22)17(21)23/h5-8,15H,1-4,9-13H2,(H2,21,23)/t15-,19+/m0/s1
SMILES: c1cc(ccc1C[C@]2(CCCCO2)C(=O)N3CCC[C@@H](C3)C(=O)N)F
c1cc(ccc1C[C@]2(CCCCO2)C(=O)N3CCC[C@@H](C3)C(=O)N)F
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
100%