2025-02-22_00000159
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ligand
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7HXO
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-0035279-001 (A71EV2A-x4306);
X-ray diffraction 1.55Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BRI
InChI=1S/C15H18F3N3O3/c16-15(17,18)9-24-12-6-2-1-5-11(12)20-14(23)21-7-3-4-10(8-21)13(19)22/h1-2,5-6,10H,3-4,7-9H2,(H2,19,22)(H,20,23)/t10-/m0/s1
InChI=1S/C15H18F3N3O3/c16-15(17,18)9-24-12-6-2-1-5-11(12)20-14(23)21-7-3-4-10(8-21)13(19)22/h1-2,5-6,10H,3-4,7-9H2,(H2,19,22)(H,20,23)/t10-/m0/s1
SMILES: c1ccc(c(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N)OCC(F)(F)F
c1ccc(c(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N)OCC(F)(F)F
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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