2025-02-22_00000146
|
ligand
|
7HXB
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-0034497-001 (A71EV2A-x4237);
X-ray diffraction 1.49Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BNZ
InChI=1S/C21H23FN2O2/c22-18-10-8-15(9-11-18)13-19(16-5-2-1-3-6-16)21(26)24-12-4-7-17(14-24)20(23)25/h1-3,5-6,8-11,17,19H,4,7,12-14H2,(H2,23,25)/t17-,19-/m0/s1
InChI=1S/C21H23FN2O2/c22-18-10-8-15(9-11-18)13-19(16-5-2-1-3-6-16)21(26)24-12-4-7-17(14-24)20(23)25/h1-3,5-6,8-11,17,19H,4,7,12-14H2,(H2,23,25)/t17-,19-/m0/s1
SMILES: c1ccc(cc1)[C@H](Cc2ccc(cc2)F)C(=O)N3CCC[C@@H](C3)C(=O)N
c1ccc(cc1)[C@H](Cc2ccc(cc2)F)C(=O)N3CCC[C@@H](C3)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
Tube
Model
Reference
100%