2025-02-22_00000060
|
ligand
|
7HUU
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-0031959-001 (A71EV2A-x3210);
X-ray diffraction 1.67Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BRW
InChI=1S/C15H18N4O2/c16-15(21)12-5-2-6-19(9-12)13(20)7-10-3-1-4-11-8-17-18-14(10)11/h1,3-4,8,12H,2,5-7,9H2,(H2,16,21)(H,17,18)/t12-/m0/s1
InChI=1S/C15H18N4O2/c16-15(21)12-5-2-6-19(9-12)13(20)7-10-3-1-4-11-8-17-18-14(10)11/h1,3-4,8,12H,2,5-7,9H2,(H2,16,21)(H,17,18)/t12-/m0/s1
SMILES: c1cc2cn[nH]c2c(c1)CC(=O)N3CCC[C@@H](C3)C(=O)N
c1cc2cn[nH]c2c(c1)CC(=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
Tube
Model
Reference
100%