2025-02-22_00000180
|
ligand
|
7HY9
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-0035346-001 (A71EV2A-x4344);
X-ray diffraction 1.64Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BPK
InChI=1S/C17H22N2O2/c18-17(21)14-7-3-9-19(11-14)16(20)10-13-6-1-4-12-5-2-8-15(12)13/h1,4,6,14H,2-3,5,7-11H2,(H2,18,21)/t14-/m0/s1
InChI=1S/C17H22N2O2/c18-17(21)14-7-3-9-19(11-14)16(20)10-13-6-1-4-12-5-2-8-15(12)13/h1,4,6,14H,2-3,5,7-11H2,(H2,18,21)/t14-/m0/s1
SMILES: c1cc2c(c(c1)CC(=O)N3CCC[C@@H](C3)C(=O)N)CCC2
c1cc2c(c(c1)CC(=O)N3CCC[C@@H](C3)C(=O)N)CCC2
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%