2025-03-29_00000144
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ligand
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7I68
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-0037630-001 (A71EV2A-x4928);
X-ray diffraction 1.65Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B4F
InChI=1S/C14H18N2O2/c1-10-3-2-4-11(7-10)8-16-9-12(14(15)18)5-6-13(16)17/h2-4,7,12H,5-6,8-9H2,1H3,(H2,15,18)/t12-/m0/s1
InChI=1S/C14H18N2O2/c1-10-3-2-4-11(7-10)8-16-9-12(14(15)18)5-6-13(16)17/h2-4,7,12H,5-6,8-9H2,1H3,(H2,15,18)/t12-/m0/s1
SMILES: Cc1cccc(c1)CN2C[C@H](CCC2=O)C(=O)N
Cc1cccc(c1)CN2C[C@H](CCC2=O)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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