2025-03-29_00000079
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ligand
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7I4F
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-0036683-001 (A71EV2A-x4703);
X-ray diffraction 1.72Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B2T
InChI=1S/C12H19N5O2S/c1-16-7-9(20-2)11(15-16)14-12(19)17-5-3-4-8(6-17)10(13)18/h7-8H,3-6H2,1-2H3,(H2,13,18)(H,14,15,19)/t8-/m0/s1
InChI=1S/C12H19N5O2S/c1-16-7-9(20-2)11(15-16)14-12(19)17-5-3-4-8(6-17)10(13)18/h7-8H,3-6H2,1-2H3,(H2,13,18)(H,14,15,19)/t8-/m0/s1
SMILES: Cn1cc(c(n1)NC(=O)N2CCC[C@@H](C2)C(=O)N)SC
Cn1cc(c(n1)NC(=O)N2CCC[C@@H](C2)C(=O)N)SC
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
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Model
Reference
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