2025-02-22_00000124
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ligand
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7HWP
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-0034401-001 (A71EV2A-x3977);
X-ray diffraction 1.56Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BR3
InChI=1S/C13H18N2O3/c1-15(8-7-12(14)16)13(17)9-10-5-3-4-6-11(10)18-2/h3-6H,7-9H2,1-2H3,(H2,14,16)
InChI=1S/C13H18N2O3/c1-15(8-7-12(14)16)13(17)9-10-5-3-4-6-11(10)18-2/h3-6H,7-9H2,1-2H3,(H2,14,16)
SMILES: CN(CCC(=O)N)C(=O)Cc1ccccc1OC
CN(CCC(=O)N)C(=O)Cc1ccccc1OC
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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