2025-02-22_00000178
|
ligand
|
7HY7
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-0035321-001 (A71EV2A-x4342);
X-ray diffraction 1.70Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BPW
InChI=1S/C14H16F3N3O2/c15-14(16,17)12-9(3-1-5-19-12)7-11(21)20-6-2-4-10(8-20)13(18)22/h1,3,5,10H,2,4,6-8H2,(H2,18,22)/t10-/m0/s1
InChI=1S/C14H16F3N3O2/c15-14(16,17)12-9(3-1-5-19-12)7-11(21)20-6-2-4-10(8-20)13(18)22/h1,3,5,10H,2,4,6-8H2,(H2,18,22)/t10-/m0/s1
SMILES: c1cc(c(nc1)C(F)(F)F)CC(=O)N2CCC[C@@H](C2)C(=O)N
c1cc(c(nc1)C(F)(F)F)CC(=O)N2CCC[C@@H](C2)C(=O)N
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
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Model
Reference
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