2025-03-29_00000124
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ligand
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7I5O
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-0036580-001 (A71EV2A-x4855);
X-ray diffraction 1.55Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B35
InChI=1S/C13H17N3O2S/c1-19-11-5-3-2-4-10(11)15-13(18)16-7-6-9(8-16)12(14)17/h2-5,9H,6-8H2,1H3,(H2,14,17)(H,15,18)/t9-/m0/s1
InChI=1S/C13H17N3O2S/c1-19-11-5-3-2-4-10(11)15-13(18)16-7-6-9(8-16)12(14)17/h2-5,9H,6-8H2,1H3,(H2,14,17)(H,15,18)/t9-/m0/s1
SMILES: CSc1ccccc1NC(=O)N2CC[C@@H](C2)C(=O)N
CSc1ccccc1NC(=O)N2CC[C@@H](C2)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
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Model
Reference
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