2025-02-22_00000203
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ligand
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7HYW
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-0035386-001 (A71EV2A-x4429);
X-ray diffraction 1.48Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BS7
InChI=1S/C15H18F3N3O3/c1-24-12-5-4-10(15(16,17)18)7-11(12)20-14(23)21-6-2-3-9(8-21)13(19)22/h4-5,7,9H,2-3,6,8H2,1H3,(H2,19,22)(H,20,23)/t9-/m0/s1
InChI=1S/C15H18F3N3O3/c1-24-12-5-4-10(15(16,17)18)7-11(12)20-14(23)21-6-2-3-9(8-21)13(19)22/h4-5,7,9H,2-3,6,8H2,1H3,(H2,19,22)(H,20,23)/t9-/m0/s1
SMILES: COc1ccc(cc1NC(=O)N2CCC[C@@H](C2)C(=O)N)C(F)(F)F
COc1ccc(cc1NC(=O)N2CCC[C@@H](C2)C(=O)N)C(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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