2025-02-22_00000071
|
ligand
|
7HV5
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-0032051-001 (A71EV2A-x3371);
X-ray diffraction 1.42Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BTJ
InChI=1S/C15H17N5O/c1-19-9-11(17-10-19)7-8-16-15(21)14-12-5-3-4-6-13(12)20(2)18-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,21)
InChI=1S/C15H17N5O/c1-19-9-11(17-10-19)7-8-16-15(21)14-12-5-3-4-6-13(12)20(2)18-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,21)
SMILES: Cn1cc(nc1)CCNC(=O)c2c3ccccc3n(n2)C
Cn1cc(nc1)CCNC(=O)c2c3ccccc3n(n2)C
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%