2025-03-29_00000204
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ligand
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7I7W
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-0038525-001 (A71EV2A-x5359);
X-ray diffraction 1.52Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B51
InChI=1S/C15H20N2O3S/c1-2-12-6-3-4-7-14(12)11-21(19,20)17-9-5-8-13(10-17)15(16)18/h2-4,6-7,13H,1,5,8-11H2,(H2,16,18)/t13-/m0/s1
InChI=1S/C15H20N2O3S/c1-2-12-6-3-4-7-14(12)11-21(19,20)17-9-5-8-13(10-17)15(16)18/h2-4,6-7,13H,1,5,8-11H2,(H2,16,18)/t13-/m0/s1
SMILES: C=Cc1ccccc1CS(=O)(=O)N2CCC[C@@H](C2)C(=O)N
C=Cc1ccccc1CS(=O)(=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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