2025-03-29_00000067
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ligand
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7I43
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-0036436-001 (A71EV2A-x4650);
X-ray diffraction 1.78Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B2H
InChI=1S/C15H17F3N2O2/c16-15(17,18)12-6-2-1-4-10(12)8-13(21)20-7-3-5-11(9-20)14(19)22/h1-2,4,6,11H,3,5,7-9H2,(H2,19,22)/t11-/m0/s1
InChI=1S/C15H17F3N2O2/c16-15(17,18)12-6-2-1-4-10(12)8-13(21)20-7-3-5-11(9-20)14(19)22/h1-2,4,6,11H,3,5,7-9H2,(H2,19,22)/t11-/m0/s1
SMILES: c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N)C(F)(F)F
c1ccc(c(c1)CC(=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
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Model
Reference
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