2025-03-29_00000071
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ligand
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7I47
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-0036562-001 (A71EV2A-x4673);
X-ray diffraction 1.36Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B2L
InChI=1S/C15H17BrN2O4/c16-11-6-13-12(21-8-22-13)4-10(11)5-14(19)18-3-1-2-9(7-18)15(17)20/h4,6,9H,1-3,5,7-8H2,(H2,17,20)/t9-/m0/s1
InChI=1S/C15H17BrN2O4/c16-11-6-13-12(21-8-22-13)4-10(11)5-14(19)18-3-1-2-9(7-18)15(17)20/h4,6,9H,1-3,5,7-8H2,(H2,17,20)/t9-/m0/s1
SMILES: c1c(c(cc2c1OCO2)Br)CC(=O)N3CCC[C@@H](C3)C(=O)N
c1c(c(cc2c1OCO2)Br)CC(=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
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Model
Reference
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