Chlorine in PDB 8qbu: Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa)
Enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa)
All present enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa):
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa), PDB code: 8qbu
was solved by
C.Werner,
K.Niefind,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 46.17 / 1.09 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 46.173, 47.715, 50.586, 66.05, 89.72, 88.97 |
| R / Rfree (%) | 15.9 / 17.9 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa)
(pdb code 8qbu). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa), PDB code: 8qbu:
Jump to Chlorine binding site number: 1; 2; 3;
In total 3 binding sites of Chlorine where determined in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa), PDB code: 8qbu:
Jump to Chlorine binding site number: 1; 2; 3;
Chlorine binding site 1 out of 3 in 8qbu
Go back to
Chlorine Binding Sites List in 8qbu
Chlorine binding site 1 out
of 3 in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa) within 5.0Å range:
|
Chlorine binding site 2 out of 3 in 8qbu
Go back to
Chlorine Binding Sites List in 8qbu
Chlorine binding site 2 out
of 3 in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa) within 5.0Å range:
|
Chlorine binding site 3 out of 3 in 8qbu
Go back to
Chlorine Binding Sites List in 8qbu
Chlorine binding site 3 out
of 3 in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Inhibitor Cx-4945 and the Alpha-D-Pocket Ligand 3,4-Dichloro Phenethylamine (Dpa) within 5.0Å range:
|
Reference:
C.Werner,
D.Lindenblatt,
K.Viht,
A.Uri,
K.Niefind.
Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2ALPHA CYS336SER As An Exquisite Crystallographic Tool Kinases Phosphatases 2023.
DOI: 10.3390/KINASESPHOSPHATASES1040018
Page generated: Tue Jul 30 11:53:46 2024
DOI: 10.3390/KINASESPHOSPHATASES1040018
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