2025-02-22_00000106
|
ligand
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7HW6
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-0032757-001 (A71EV2A-x3868);
X-ray diffraction 1.72Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BN2
InChI=1S/C15H21N3O3/c1-17(12-7-3-4-8-13(12)21-2)15(20)18-9-5-6-11(10-18)14(16)19/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,16,19)/t11-/m0/s1
InChI=1S/C15H21N3O3/c1-17(12-7-3-4-8-13(12)21-2)15(20)18-9-5-6-11(10-18)14(16)19/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,16,19)/t11-/m0/s1
SMILES: CN(c1ccccc1OC)C(=O)N2CCC[C@@H](C2)C(=O)N
CN(c1ccccc1OC)C(=O)N2CCC[C@@H](C2)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
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Model
Reference
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