2025-02-22_00000075
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ligand
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7HV9
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-0032225-001 (A71EV2A-x3450);
X-ray diffraction 1.54Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BO2
InChI=1S/C13H15N3O2S/c14-7-11-9(3-5-19-11)6-12(17)16-4-1-2-10(8-16)13(15)18/h3,5,10H,1-2,4,6,8H2,(H2,15,18)/t10-/m0/s1
InChI=1S/C13H15N3O2S/c14-7-11-9(3-5-19-11)6-12(17)16-4-1-2-10(8-16)13(15)18/h3,5,10H,1-2,4,6,8H2,(H2,15,18)/t10-/m0/s1
SMILES: c1csc(c1CC(=O)N2CCC[C@@H](C2)C(=O)N)C#N
c1csc(c1CC(=O)N2CCC[C@@H](C2)C(=O)N)C#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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