2025-02-22_00000109
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ligand
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7HWA
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-0032721-001 (A71EV2A-x3895);
X-ray diffraction 1.38Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BTD
InChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)7-15-8-10(13(14)17)6-12(15)16/h2-5,10H,6-8H2,1H3,(H2,14,17)/t10-/m0/s1
InChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)7-15-8-10(13(14)17)6-12(15)16/h2-5,10H,6-8H2,1H3,(H2,14,17)/t10-/m0/s1
SMILES: COc1ccccc1CN2C[C@H](CC2=O)C(=O)N
COc1ccccc1CN2C[C@H](CC2=O)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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