2025-03-29_00000045
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ligand
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7I3H
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-0035422-001 (A71EV2A-x4464);
X-ray diffraction 1.62Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B1X
InChI=1S/C14H20N4O2/c1-9-12(10(2)17-8-16-9)6-13(19)18-5-3-4-11(7-18)14(15)20/h8,11H,3-7H2,1-2H3,(H2,15,20)/t11-/m0/s1
InChI=1S/C14H20N4O2/c1-9-12(10(2)17-8-16-9)6-13(19)18-5-3-4-11(7-18)14(15)20/h8,11H,3-7H2,1-2H3,(H2,15,20)/t11-/m0/s1
SMILES: Cc1c(c(ncn1)C)CC(=O)N2CCC[C@@H](C2)C(=O)N
Cc1c(c(ncn1)C)CC(=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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