2025-02-22_00000162
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ligand
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7HXR
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-0035390-001 (A71EV2A-x4310);
X-ray diffraction 1.34Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BS4
InChI=1S/C15H18F3N3O3/c1-24-12-10(15(16,17)18)5-2-6-11(12)20-14(23)21-7-3-4-9(8-21)13(19)22/h2,5-6,9H,3-4,7-8H2,1H3,(H2,19,22)(H,20,23)/t9-/m0/s1
InChI=1S/C15H18F3N3O3/c1-24-12-10(15(16,17)18)5-2-6-11(12)20-14(23)21-7-3-4-9(8-21)13(19)22/h2,5-6,9H,3-4,7-8H2,1H3,(H2,19,22)(H,20,23)/t9-/m0/s1
SMILES: COc1c(cccc1NC(=O)N2CCC[C@@H](C2)C(=O)N)C(F)(F)F
COc1c(cccc1NC(=O)N2CCC[C@@H](C2)C(=O)N)C(F)(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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