2025-03-29_00000188
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ligand
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7I7G
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-0038516-001 (A71EV2A-x5221);
X-ray diffraction 1.64Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B5Q
InChI=1S/C15H17N3O2S/c16-15(20)11-4-2-6-18(8-11)13(19)7-10-3-1-5-12-14(10)21-9-17-12/h1,3,5,9,11H,2,4,6-8H2,(H2,16,20)/t11-/m0/s1
InChI=1S/C15H17N3O2S/c16-15(20)11-4-2-6-18(8-11)13(19)7-10-3-1-5-12-14(10)21-9-17-12/h1,3,5,9,11H,2,4,6-8H2,(H2,16,20)/t11-/m0/s1
SMILES: c1cc(c2c(c1)ncs2)CC(=O)N3CCC[C@@H](C3)C(=O)N
c1cc(c2c(c1)ncs2)CC(=O)N3CCC[C@@H](C3)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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