2025-02-22_00000177
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ligand
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7HY6
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-0035361-001 (A71EV2A-x4341);
X-ray diffraction 1.48Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BOS
InChI=1S/C16H18N2O2S/c17-16(20)12-4-2-7-18(10-12)15(19)9-11-3-1-5-14-13(11)6-8-21-14/h1,3,5-6,8,12H,2,4,7,9-10H2,(H2,17,20)/t12-/m0/s1
InChI=1S/C16H18N2O2S/c17-16(20)12-4-2-7-18(10-12)15(19)9-11-3-1-5-14-13(11)6-8-21-14/h1,3,5-6,8,12H,2,4,7,9-10H2,(H2,17,20)/t12-/m0/s1
SMILES: c1cc(c2ccsc2c1)CC(=O)N3CCC[C@@H](C3)C(=O)N
c1cc(c2ccsc2c1)CC(=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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