2025-02-22_00000119
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ligand
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7HWK
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-0034455-001 (A71EV2A-x3954);
X-ray diffraction 1.94Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BRD
InChI=1S/C16H21N3O3/c1-22-13-7-5-10-4-6-12(14(10)18-13)16(21)19-8-2-3-11(9-19)15(17)20/h5,7,11-12H,2-4,6,8-9H2,1H3,(H2,17,20)/t11-,12+/m0/s1
InChI=1S/C16H21N3O3/c1-22-13-7-5-10-4-6-12(14(10)18-13)16(21)19-8-2-3-11(9-19)15(17)20/h5,7,11-12H,2-4,6,8-9H2,1H3,(H2,17,20)/t11-,12+/m0/s1
SMILES: COc1ccc2c(n1)[C@H](CC2)C(=O)N3CCC[C@@H](C3)C(=O)N
COc1ccc2c(n1)[C@H](CC2)C(=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
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Model
Reference
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