2025-03-29_00000091
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ligand
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7I4R
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-0036803-001 (A71EV2A-x4736);
X-ray diffraction 1.49Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B27
InChI=1S/C12H20N2O2S/c1-17-7-9-5-10(9)12(16)14-4-2-3-8(6-14)11(13)15/h8-10H,2-7H2,1H3,(H2,13,15)/t8-,9+,10+/m0/s1
InChI=1S/C12H20N2O2S/c1-17-7-9-5-10(9)12(16)14-4-2-3-8(6-14)11(13)15/h8-10H,2-7H2,1H3,(H2,13,15)/t8-,9+,10+/m0/s1
SMILES: CSC[C@@H]1C[C@@H]1C(=O)N2CCC[C@@H](C2)C(=O)N
CSC[C@@H]1C[C@@H]1C(=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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