2025-02-22_00000078
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ligand
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7HVC
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-0032359-001 (A71EV2A-x3485);
X-ray diffraction 1.35Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BPS
InChI=1S/C14H19N3O3/c1-20-12-6-2-5-11(8-12)16-14(19)17-7-3-4-10(9-17)13(15)18/h2,5-6,8,10H,3-4,7,9H2,1H3,(H2,15,18)(H,16,19)/t10-/m0/s1
InChI=1S/C14H19N3O3/c1-20-12-6-2-5-11(8-12)16-14(19)17-7-3-4-10(9-17)13(15)18/h2,5-6,8,10H,3-4,7,9H2,1H3,(H2,15,18)(H,16,19)/t10-/m0/s1
SMILES: COc1cccc(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N
COc1cccc(c1)NC(=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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