2025-02-22_00000186
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ligand
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7HYF
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-0035335-001 (A71EV2A-x4368);
X-ray diffraction 1.82Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BRR
InChI=1S/C16H22N2O3/c1-21-11-14-6-3-2-5-12(14)9-15(19)18-8-4-7-13(10-18)16(17)20/h2-3,5-6,13H,4,7-11H2,1H3,(H2,17,20)/t13-/m0/s1
InChI=1S/C16H22N2O3/c1-21-11-14-6-3-2-5-12(14)9-15(19)18-8-4-7-13(10-18)16(17)20/h2-3,5-6,13H,4,7-11H2,1H3,(H2,17,20)/t13-/m0/s1
SMILES: COCc1ccccc1CC(=O)N2CCC[C@@H](C2)C(=O)N
COCc1ccccc1CC(=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
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Model
Reference
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