2025-02-22_00000212
|
ligand
|
7HZ5
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-0036323-001 (A71EV2A-x4476);
X-ray diffraction 1.38Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BSW
InChI=1S/C16H20N2O3/c1-21-13-5-3-2-4-11(13)8-14(19)18-10-16(15(17)20)7-6-12(18)9-16/h2-5,12H,6-10H2,1H3,(H2,17,20)/t12-,16+/m1/s1
InChI=1S/C16H20N2O3/c1-21-13-5-3-2-4-11(13)8-14(19)18-10-16(15(17)20)7-6-12(18)9-16/h2-5,12H,6-10H2,1H3,(H2,17,20)/t12-,16+/m1/s1
SMILES: COc1ccccc1CC(=O)N2C[C@@]3(CC[C@H]2C3)C(=O)N
COc1ccccc1CC(=O)N2C[C@@]3(CC[C@H]2C3)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%