2025-02-22_00000217
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ligand
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7HZA
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-0036358-001 (A71EV2A-x4519);
X-ray diffraction 1.49Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BO0
InChI=1S/C15H17BrN4O2/c16-11-3-4-12-7-18-13(20(12)9-11)6-14(21)19-5-1-2-10(8-19)15(17)22/h3-4,7,9-10H,1-2,5-6,8H2,(H2,17,22)/t10-/m0/s1
InChI=1S/C15H17BrN4O2/c16-11-3-4-12-7-18-13(20(12)9-11)6-14(21)19-5-1-2-10(8-19)15(17)22/h3-4,7,9-10H,1-2,5-6,8H2,(H2,17,22)/t10-/m0/s1
SMILES: c1cc(cn2c1cnc2CC(=O)N3CCC[C@@H](C3)C(=O)N)Br
c1cc(cn2c1cnc2CC(=O)N3CCC[C@@H](C3)C(=O)N)Br
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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