2025-03-29_00000048
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ligand
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7I3K
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-0036383-001 (A71EV2A-x4494);
X-ray diffraction 1.68Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B10
InChI=1S/C16H19N3O3/c1-10(14-12-6-2-3-7-13(12)22-18-14)16(21)19-8-4-5-11(9-19)15(17)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,17,20)/t10-,11+/m1/s1
InChI=1S/C16H19N3O3/c1-10(14-12-6-2-3-7-13(12)22-18-14)16(21)19-8-4-5-11(9-19)15(17)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,17,20)/t10-,11+/m1/s1
SMILES: C[C@H](c1c2ccccc2on1)C(=O)N3CCC[C@@H](C3)C(=O)N
C[C@H](c1c2ccccc2on1)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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