2025-02-22_00000142
|
ligand
|
7HX7
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-0032793-001 (A71EV2A-x4203);
X-ray diffraction 1.91Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BQF
InChI=1S/C15H19ClN2O3/c1-21-13-8-12(16)5-4-10(13)7-14(19)18-6-2-3-11(9-18)15(17)20/h4-5,8,11H,2-3,6-7,9H2,1H3,(H2,17,20)/t11-/m0/s1
InChI=1S/C15H19ClN2O3/c1-21-13-8-12(16)5-4-10(13)7-14(19)18-6-2-3-11(9-18)15(17)20/h4-5,8,11H,2-3,6-7,9H2,1H3,(H2,17,20)/t11-/m0/s1
SMILES: COc1cc(ccc1CC(=O)N2CCC[C@@H](C2)C(=O)N)Cl
COc1cc(ccc1CC(=O)N2CCC[C@@H](C2)C(=O)N)Cl
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
Tube
Model
Reference
100%