2025-02-22_00000074
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ligand
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7HV8
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-0032226-001 (A71EV2A-x3419);
X-ray diffraction 1.42Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BO6
InChI=1S/C15H14N4O3/c1-19-15(21)12-5-3-2-4-11(12)13(18-19)14(20)16-7-6-10-8-22-9-17-10/h2-5,8-9H,6-7H2,1H3,(H,16,20)
InChI=1S/C15H14N4O3/c1-19-15(21)12-5-3-2-4-11(12)13(18-19)14(20)16-7-6-10-8-22-9-17-10/h2-5,8-9H,6-7H2,1H3,(H,16,20)
SMILES: CN1C(=O)c2ccccc2C(=N1)C(=O)NCCc3cocn3
CN1C(=O)c2ccccc2C(=N1)C(=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
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Model
Reference
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