2025-03-29_00000054
|
ligand
|
7I3Q
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-0036387-001 (A71EV2A-x4559);
X-ray diffraction 1.49Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B15
InChI=1S/C17H21N3O2/c1-12-4-5-15-13(9-12)6-8-19(15)11-16(21)20-7-2-3-14(10-20)17(18)22/h4-6,8-9,14H,2-3,7,10-11H2,1H3,(H2,18,22)/t14-/m0/s1
InChI=1S/C17H21N3O2/c1-12-4-5-15-13(9-12)6-8-19(15)11-16(21)20-7-2-3-14(10-20)17(18)22/h4-6,8-9,14H,2-3,7,10-11H2,1H3,(H2,18,22)/t14-/m0/s1
SMILES: Cc1ccc2c(c1)ccn2CC(=O)N3CCC[C@@H](C3)C(=O)N
Cc1ccc2c(c1)ccn2CC(=O)N3CCC[C@@H](C3)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
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%