2025-02-22_00000165
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ligand
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7HXU
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-0035276-001 (A71EV2A-x4313);
X-ray diffraction 1.38Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BOI
InChI=1S/C15H20N2O3/c1-10(12-5-3-4-6-13(12)20-2)8-17-9-11(15(16)19)7-14(17)18/h3-6,10-11H,7-9H2,1-2H3,(H2,16,19)/t10-,11+/m1/s1
InChI=1S/C15H20N2O3/c1-10(12-5-3-4-6-13(12)20-2)8-17-9-11(15(16)19)7-14(17)18/h3-6,10-11H,7-9H2,1-2H3,(H2,16,19)/t10-,11+/m1/s1
SMILES: C[C@H](CN1C[C@H](CC1=O)C(=O)N)c2ccccc2OC
C[C@H](CN1C[C@H](CC1=O)C(=O)N)c2ccccc2OC
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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