2025-02-22_00000133
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ligand
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7HWY
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-0032691-001 (A71EV2A-x4017);
X-ray diffraction 1.40Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BPP
InChI=1S/C15H19N5O2/c1-19-13-6-2-5-12(11(13)8-17-19)18-15(22)20-7-3-4-10(9-20)14(16)21/h2,5-6,8,10H,3-4,7,9H2,1H3,(H2,16,21)(H,18,22)/t10-/m0/s1
InChI=1S/C15H19N5O2/c1-19-13-6-2-5-12(11(13)8-17-19)18-15(22)20-7-3-4-10(9-20)14(16)21/h2,5-6,8,10H,3-4,7,9H2,1H3,(H2,16,21)(H,18,22)/t10-/m0/s1
SMILES: Cn1c2cccc(c2cn1)NC(=O)N3CCC[C@@H](C3)C(=O)N
Cn1c2cccc(c2cn1)NC(=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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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