2025-02-22_00000108
|
ligand
|
7HW9
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-0032794-001 (A71EV2A-x3890);
X-ray diffraction 1.53Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BRO
InChI=1S/C15H21N3O3/c1-21-12-7-3-2-6-11(12)13(16)15(20)18-8-4-5-10(9-18)14(17)19/h2-3,6-7,10,13H,4-5,8-9,16H2,1H3,(H2,17,19)/t10-,13?/m0/s1
InChI=1S/C15H21N3O3/c1-21-12-7-3-2-6-11(12)13(16)15(20)18-8-4-5-10(9-18)14(17)19/h2-3,6-7,10,13H,4-5,8-9,16H2,1H3,(H2,17,19)/t10-,13?/m0/s1
SMILES: COc1ccccc1[C@@H](C(=O)N2CCC[C@@H](C2)C(=O)N)N
COc1ccccc1[C@@H](C(=O)N2CCC[C@@H](C2)C(=O)N)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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