2025-02-22_00000201
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ligand
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7HYU
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-0036224-001 (A71EV2A-x4421);
X-ray diffraction 1.39Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BOP
InChI=1S/C13H17N3O3/c1-19-11-2-4-15-7-10(11)6-12(17)16-5-3-9(8-16)13(14)18/h2,4,7,9H,3,5-6,8H2,1H3,(H2,14,18)/t9-/m0/s1
InChI=1S/C13H17N3O3/c1-19-11-2-4-15-7-10(11)6-12(17)16-5-3-9(8-16)13(14)18/h2,4,7,9H,3,5-6,8H2,1H3,(H2,14,18)/t9-/m0/s1
SMILES: COc1ccncc1CC(=O)N2CC[C@@H](C2)C(=O)N
COc1ccncc1CC(=O)N2CC[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
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Model
Reference
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