2025-02-22_00000049
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ligand
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7HUI
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-0031604-001 (A71EV2A-x3176);
X-ray diffraction 1.57Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BSD
InChI=1S/C13H17N3O2/c1-9(8-18-3)14-13(17)12-10-6-4-5-7-11(10)16(2)15-12/h4-7,9H,8H2,1-3H3,(H,14,17)
InChI=1S/C13H17N3O2/c1-9(8-18-3)14-13(17)12-10-6-4-5-7-11(10)16(2)15-12/h4-7,9H,8H2,1-3H3,(H,14,17)
SMILES: C[C@@H](COC)NC(=O)c1c2ccccc2n(n1)C
C[C@@H](COC)NC(=O)c1c2ccccc2n(n1)C
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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