2025-03-29_00000089
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ligand
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7I4P
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-0036653-001 (A71EV2A-x4727);
X-ray diffraction 1.64Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B25
InChI=1S/C13H21N5O2S/c1-8-10(12(21-3)17(2)16-8)15-13(20)18-6-4-5-9(7-18)11(14)19/h9H,4-7H2,1-3H3,(H2,14,19)(H,15,20)/t9-/m0/s1
InChI=1S/C13H21N5O2S/c1-8-10(12(21-3)17(2)16-8)15-13(20)18-6-4-5-9(7-18)11(14)19/h9H,4-7H2,1-3H3,(H2,14,19)(H,15,20)/t9-/m0/s1
SMILES: Cc1c(c(n(n1)C)SC)NC(=O)N2CCC[C@@H](C2)C(=O)N
Cc1c(c(n(n1)C)SC)NC(=O)N2CCC[C@@H](C2)C(=O)N
Non polymer #3
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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