2025-02-22_00000107
|
ligand
|
7HW8
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-0032823-001 (A71EV2A-x3884);
X-ray diffraction 1.38Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BRQ
InChI=1S/C20H29N3O5/c1-20(2,3)28-19(26)22-16(14-9-5-6-10-15(14)27-4)18(25)23-11-7-8-13(12-23)17(21)24/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3,(H2,21,24)(H,22,26)/t13-,16?/m0/s1
InChI=1S/C20H29N3O5/c1-20(2,3)28-19(26)22-16(14-9-5-6-10-15(14)27-4)18(25)23-11-7-8-13(12-23)17(21)24/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3,(H2,21,24)(H,22,26)/t13-,16?/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](c1ccccc1OC)C(=O)N2CCC[C@@H](C2)C(=O)N
CC(C)(C)OC(=O)N[C@@H](c1ccccc1OC)C(=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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