2025-03-29_00000135
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ligand
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7I5Z
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-0036303-001 (A71EV2A-x4895);
X-ray diffraction 1.34Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B4O
InChI=1S/C14H17ClFN3O2/c1-8(12-10(15)4-5-11(16)18-12)14(21)19-6-2-3-9(7-19)13(17)20/h4-5,8-9H,2-3,6-7H2,1H3,(H2,17,20)/t8-,9-/m0/s1
InChI=1S/C14H17ClFN3O2/c1-8(12-10(15)4-5-11(16)18-12)14(21)19-6-2-3-9(7-19)13(17)20/h4-5,8-9H,2-3,6-7H2,1H3,(H2,17,20)/t8-,9-/m0/s1
SMILES: C[C@@H](c1c(ccc(n1)F)Cl)C(=O)N2CCC[C@@H](C2)C(=O)N
C[C@@H](c1c(ccc(n1)F)Cl)C(=O)N2CCC[C@@H](C2)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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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