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
Last articles
Zn in 9JPJZn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
