2025-03-29_00000141
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ligand
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7I65
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-0037637-001 (A71EV2A-x4921);
X-ray diffraction 1.41Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B4I
InChI=1S/C13H15ClN2O2/c14-11-3-1-2-9(6-11)7-16-8-10(13(15)18)4-5-12(16)17/h1-3,6,10H,4-5,7-8H2,(H2,15,18)/t10-/m0/s1
InChI=1S/C13H15ClN2O2/c14-11-3-1-2-9(6-11)7-16-8-10(13(15)18)4-5-12(16)17/h1-3,6,10H,4-5,7-8H2,(H2,15,18)/t10-/m0/s1
SMILES: c1cc(cc(c1)Cl)CN2C[C@H](CCC2=O)C(=O)N
c1cc(cc(c1)Cl)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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