2025-02-22_00000046
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ligand
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7HUF
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-0031631-001 (A71EV2A-x2972);
X-ray diffraction 1.55Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BRH
InChI=1S/C13H13N5O/c1-18-11-5-3-2-4-10(11)12(17-18)13(19)15-7-9-6-14-8-16-9/h2-6,8H,7H2,1H3,(H,14,16)(H,15,19)
InChI=1S/C13H13N5O/c1-18-11-5-3-2-4-10(11)12(17-18)13(19)15-7-9-6-14-8-16-9/h2-6,8H,7H2,1H3,(H,14,16)(H,15,19)
SMILES: Cn1c2ccccc2c(n1)C(=O)NCc3c[nH]cn3
Cn1c2ccccc2c(n1)C(=O)NCc3c[nH]cn3
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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