2025-03-29_00000129
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ligand
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7I5T
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-0036525-001 (A71EV2A-x4877);
X-ray diffraction 1.19Å
Protein #1
144 residues (96% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B4A
InChI=1S/C14H18N2O2S2/c15-13(17)9-2-1-5-16(8-9)14(18)12-10-3-6-19-11(10)4-7-20-12/h3,6,9,12H,1-2,4-5,7-8H2,(H2,15,17)/t9-,12-/m0/s1
InChI=1S/C14H18N2O2S2/c15-13(17)9-2-1-5-16(8-9)14(18)12-10-3-6-19-11(10)4-7-20-12/h3,6,9,12H,1-2,4-5,7-8H2,(H2,15,17)/t9-,12-/m0/s1
SMILES: c1csc2c1[C@H](SCC2)C(=O)N3CCC[C@@H](C3)C(=O)N
c1csc2c1[C@H](SCC2)C(=O)N3CCC[C@@H](C3)C(=O)N
Non polymer #3
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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