2025-03-29_00000125
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ligand
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7I5P
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-0036545-001 (A71EV2A-x4856);
X-ray diffraction 1.51Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B36
InChI=1S/C14H17BrN2O2S/c1-20-12-3-2-11(15)6-10(12)7-13(18)17-5-4-9(8-17)14(16)19/h2-3,6,9H,4-5,7-8H2,1H3,(H2,16,19)/t9-/m0/s1
InChI=1S/C14H17BrN2O2S/c1-20-12-3-2-11(15)6-10(12)7-13(18)17-5-4-9(8-17)14(16)19/h2-3,6,9H,4-5,7-8H2,1H3,(H2,16,19)/t9-/m0/s1
SMILES: CSc1ccc(cc1CC(=O)N2CC[C@@H](C2)C(=O)N)Br
CSc1ccc(cc1CC(=O)N2CC[C@@H](C2)C(=O)N)Br
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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