2025-03-29_00000162
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ligand
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7I6Q
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-0037772-001 (A71EV2A-x5015);
X-ray diffraction 1.53Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B46
InChI=1S/C15H19N3O2/c1-2-12-6-3-7-13(17-12)9-14(19)18-8-4-5-11(10-18)15(16)20/h2-3,6-7,11H,1,4-5,8-10H2,(H2,16,20)/t11-/m0/s1
InChI=1S/C15H19N3O2/c1-2-12-6-3-7-13(17-12)9-14(19)18-8-4-5-11(10-18)15(16)20/h2-3,6-7,11H,1,4-5,8-10H2,(H2,16,20)/t11-/m0/s1
SMILES: C=Cc1cccc(n1)CC(=O)N2CCC[C@@H](C2)C(=O)N
C=Cc1cccc(n1)CC(=O)N2CCC[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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