2025-03-29_00000083
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ligand
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7I4J
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-0036648-001 (A71EV2A-x4710);
X-ray diffraction 1.45Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B2X
InChI=1S/C14H18N2O2S/c1-19-12-4-2-3-10(7-12)8-16-9-11(14(15)18)5-6-13(16)17/h2-4,7,11H,5-6,8-9H2,1H3,(H2,15,18)/t11-/m0/s1
InChI=1S/C14H18N2O2S/c1-19-12-4-2-3-10(7-12)8-16-9-11(14(15)18)5-6-13(16)17/h2-4,7,11H,5-6,8-9H2,1H3,(H2,15,18)/t11-/m0/s1
SMILES: CSc1cccc(c1)CN2C[C@@H](CCC2=O)C(=O)N
CSc1cccc(c1)CN2C[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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