2025-03-29_00000150
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ligand
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7I6E
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-0037658-001 (A71EV2A-x4954);
X-ray diffraction 1.54Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B4T
InChI=1S/C13H18N2O2S/c1-2-9-5-6-18-11(9)8-15-7-10(13(14)17)3-4-12(15)16/h5-6,10H,2-4,7-8H2,1H3,(H2,14,17)/t10-/m0/s1
InChI=1S/C13H18N2O2S/c1-2-9-5-6-18-11(9)8-15-7-10(13(14)17)3-4-12(15)16/h5-6,10H,2-4,7-8H2,1H3,(H2,14,17)/t10-/m0/s1
SMILES: CCc1ccsc1CN2C[C@H](CCC2=O)C(=O)N
CCc1ccsc1CN2C[C@H](CCC2=O)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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