2025-03-29_00000174
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ligand
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7I72
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-0038121-001 (A71EV2A-x5091);
X-ray diffraction 1.51Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B5N
InChI=1S/C14H19N3O2/c1-10-4-3-5-12(8-10)16(2)14(19)17-7-6-11(9-17)13(15)18/h3-5,8,11H,6-7,9H2,1-2H3,(H2,15,18)/t11-/m0/s1
InChI=1S/C14H19N3O2/c1-10-4-3-5-12(8-10)16(2)14(19)17-7-6-11(9-17)13(15)18/h3-5,8,11H,6-7,9H2,1-2H3,(H2,15,18)/t11-/m0/s1
SMILES: Cc1cccc(c1)N(C)C(=O)N2CC[C@@H](C2)C(=O)N
Cc1cccc(c1)N(C)C(=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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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