2025-03-29_00000160
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ligand
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7I6O
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-0037765-001 (A71EV2A-x4994);
X-ray diffraction 1.39Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B44
InChI=1S/C14H16N4O2/c1-17-12-5-3-2-4-10(12)11(16-17)6-13(19)18-7-9(8-18)14(15)20/h2-5,9H,6-8H2,1H3,(H2,15,20)
InChI=1S/C14H16N4O2/c1-17-12-5-3-2-4-10(12)11(16-17)6-13(19)18-7-9(8-18)14(15)20/h2-5,9H,6-8H2,1H3,(H2,15,20)
SMILES: Cn1c2ccccc2c(n1)CC(=O)N3CC(C3)C(=O)N
Cn1c2ccccc2c(n1)CC(=O)N3CC(C3)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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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