2025-02-22_00000171
|
ligand
|
7HY0
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-0035407-001 (A71EV2A-x4322);
X-ray diffraction 1.23Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BPD
InChI=1S/C16H21N3O3/c1-11(20)18-14-7-3-2-5-12(14)9-15(21)19-8-4-6-13(10-19)16(17)22/h2-3,5,7,13H,4,6,8-10H2,1H3,(H2,17,22)(H,18,20)/t13-/m0/s1
InChI=1S/C16H21N3O3/c1-11(20)18-14-7-3-2-5-12(14)9-15(21)19-8-4-6-13(10-19)16(17)22/h2-3,5,7,13H,4,6,8-10H2,1H3,(H2,17,22)(H,18,20)/t13-/m0/s1
SMILES: CC(=O)Nc1ccccc1CC(=O)N2CCC[C@@H](C2)C(=O)N
CC(=O)Nc1ccccc1CC(=O)N2CCC[C@@H](C2)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
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Model
Reference
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