2025-02-22_00000158
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ligand
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7HXN
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-0035414-001 (A71EV2A-x4305);
X-ray diffraction 1.52Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BQM
InChI=1S/C16H23N3O3/c1-11(2)22-14-8-4-3-7-13(14)18-16(21)19-9-5-6-12(10-19)15(17)20/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,17,20)(H,18,21)/t12-/m0/s1
InChI=1S/C16H23N3O3/c1-11(2)22-14-8-4-3-7-13(14)18-16(21)19-9-5-6-12(10-19)15(17)20/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,17,20)(H,18,21)/t12-/m0/s1
SMILES: CC(C)Oc1ccccc1NC(=O)N2CCC[C@@H](C2)C(=O)N
CC(C)Oc1ccccc1NC(=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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