2025-03-29_00000066
|
ligand
|
7I42
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-0036431-001 (A71EV2A-x4644);
X-ray diffraction 1.61Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B2G
InChI=1S/C14H15BrF2N2O2/c15-12-8(3-4-10(16)13(12)17)6-11(20)19-5-1-2-9(7-19)14(18)21/h3-4,9H,1-2,5-7H2,(H2,18,21)/t9-/m0/s1
InChI=1S/C14H15BrF2N2O2/c15-12-8(3-4-10(16)13(12)17)6-11(20)19-5-1-2-9(7-19)14(18)21/h3-4,9H,1-2,5-7H2,(H2,18,21)/t9-/m0/s1
SMILES: c1cc(c(c(c1CC(=O)N2CCC[C@@H](C2)C(=O)N)Br)F)F
c1cc(c(c(c1CC(=O)N2CCC[C@@H](C2)C(=O)N)Br)F)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
Tube
Model
Reference
100%