2025-03-29_00000164
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ligand
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7I6S
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-0037645-001 (A71EV2A-x5022);
X-ray diffraction 1.35Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B48
InChI=1S/C17H24N4O2S/c1-24-16-14(9-11-5-2-3-7-13(11)19-16)20-17(23)21-8-4-6-12(10-21)15(18)22/h9,12H,2-8,10H2,1H3,(H2,18,22)(H,20,23)/t12-/m0/s1
InChI=1S/C17H24N4O2S/c1-24-16-14(9-11-5-2-3-7-13(11)19-16)20-17(23)21-8-4-6-12(10-21)15(18)22/h9,12H,2-8,10H2,1H3,(H2,18,22)(H,20,23)/t12-/m0/s1
SMILES: CSc1c(cc2c(n1)CCCC2)NC(=O)N3CCC[C@@H](C3)C(=O)N
CSc1c(cc2c(n1)CCCC2)NC(=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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