2024-04-20_00000020
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ligand
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7H3D
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z558511008 (A71EV2A-x0365);
X-ray diffraction 1.35Å
Protein #1
150 residues (93% resolved)
Raw Sequence ...
QEQTGGSGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
QEQTGGSGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1AM3
InChI=1S/C11H13N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13)
InChI=1S/C11H13N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13)
SMILES: Cn1ccc(n1)NCc2ccccc2
Cn1ccc(n1)NCc2ccccc2
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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