2024-04-20_00000004
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ligand
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7H2X
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 Z384361454 (A71EV2A-x0207);
X-ray diffraction 1.25Å
Protein #1
150 residues (93% resolved)
Raw Sequence ...
QEQTGGSGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
QEQTGGSGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1AM0
InChI=1S/C10H14N2O3/c1-7-4-9(15-12-7)10(13)11-5-8-2-3-14-6-8/h4,8H,2-3,5-6H2,1H3,(H,11,13)/t8-/m1/s1
InChI=1S/C10H14N2O3/c1-7-4-9(15-12-7)10(13)11-5-8-2-3-14-6-8/h4,8H,2-3,5-6H2,1H3,(H,11,13)/t8-/m1/s1
SMILES: Cc1cc(on1)C(=O)NC[C@H]2CCOC2
Cc1cc(on1)C(=O)NC[C@H]2CCOC2
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
Biounit #2
monomer
Download coordinates
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Model
Reference
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