2025-03-29_00000027
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ligand
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7I2Z
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-0032113-001 (A71EV2A-x3392);
X-ray diffraction 1.15Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B01
InChI=1S/C14H15N3O2/c18-14(15-7-5-12-9-19-10-16-12)17-8-6-11-3-1-2-4-13(11)17/h1-4,9-10H,5-8H2,(H,15,18)
InChI=1S/C14H15N3O2/c18-14(15-7-5-12-9-19-10-16-12)17-8-6-11-3-1-2-4-13(11)17/h1-4,9-10H,5-8H2,(H,15,18)
SMILES: c1ccc2c(c1)CCN2C(=O)NCCc3cocn3
c1ccc2c(c1)CCN2C(=O)NCCc3cocn3
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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