2025-02-22_00000070
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ligand
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7HV4
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-0032125-001 (A71EV2A-x3324);
X-ray diffraction 1.44Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BRS
InChI=1S/C18H19N3O3S/c1-21-16-6-4-3-5-15(16)17(20-21)18(22)19-12-11-13-7-9-14(10-8-13)25(2,23)24/h3-10H,11-12H2,1-2H3,(H,19,22)
InChI=1S/C18H19N3O3S/c1-21-16-6-4-3-5-15(16)17(20-21)18(22)19-12-11-13-7-9-14(10-8-13)25(2,23)24/h3-10H,11-12H2,1-2H3,(H,19,22)
SMILES: Cn1c2ccccc2c(n1)C(=O)NCCc3ccc(cc3)S(=O)(=O)C
Cn1c2ccccc2c(n1)C(=O)NCCc3ccc(cc3)S(=O)(=O)C
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
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Model
Reference
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