2025-03-29_00000095
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ligand
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7I4V
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-0036758-001 (A71EV2A-x4746);
X-ray diffraction 1.15Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B3C
InChI=1S/C15H19F2NOS/c1-20-13-7-3-2-5-11(13)9-14(19)18-8-4-6-12(10-18)15(16)17/h2-3,5,7,12,15H,4,6,8-10H2,1H3/t12-/m0/s1
InChI=1S/C15H19F2NOS/c1-20-13-7-3-2-5-11(13)9-14(19)18-8-4-6-12(10-18)15(16)17/h2-3,5,7,12,15H,4,6,8-10H2,1H3/t12-/m0/s1
SMILES: CSc1ccccc1CC(=O)N2CCC[C@@H](C2)C(F)F
CSc1ccccc1CC(=O)N2CCC[C@@H](C2)C(F)F
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
Biounit #2
monomer
Download coordinates
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Model
Reference
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