Chlorine in PDB 8q77: Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Bisubstrate Inhibitor Arc- 780

Enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Bisubstrate Inhibitor Arc- 780

All present enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Bisubstrate Inhibitor Arc- 780:
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 Bisubstrate Inhibitor Arc- 780, PDB code: 8q77 was solved by C.Werner, D.Lindenblatt, K.Niefind, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.25 / 1.26
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 46.603, 47.919, 51.031, 66.59, 89.67, 88.16
R / Rfree (%) 12 / 15.7

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 Bisubstrate Inhibitor Arc- 780 (pdb code 8q77). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Bisubstrate Inhibitor Arc- 780, PDB code: 8q77:

Chlorine binding site 1 out of 1 in 8q77

Go back to Chlorine Binding Sites List in 8q77
Chlorine binding site 1 out of 1 in the Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA'; CSNK2A2 Gene Product) in Complex with the Bisubstrate Inhibitor Arc- 780


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 Bisubstrate Inhibitor Arc- 780 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl409

b:12.3
occ:1.00
 HD1 A:HIS149 2.2 8.2 1.0
H A:ALA316 2.4 8.1 1.0
HB A:THR315 2.9 9.1 1.0
ND1 A:HIS149 3.0 6.8 1.0
O A:HOH567 3.1 9.5 1.0
O A:HOH763 3.2 12.9 1.0
N A:ALA316 3.3 6.7 1.0
HA A:THR315 3.3 8.7 1.0
HB3 A:ALA316 3.4 7.8 1.0
HB2 A:ALA10 3.6 13.7 1.0
HB3 A:HIS149 3.7 7.7 1.0
HB2 A:HIS149 3.7 7.7 1.0
CB A:THR315 3.7 7.6 1.0
HB2 A:ALA316 3.8 7.8 1.0
HD2 A:TYR13 3.8 11.3 1.0
CA A:THR315 3.9 7.2 1.0
CG A:HIS149 3.9 6.5 1.0
HE2 A:TYR13 3.9 12.5 1.0
CE1 A:HIS149 3.9 6.2 1.0
CB A:ALA316 4.0 6.5 1.0
HB3 A:TYR212 4.0 8.4 1.0
CB A:HIS149 4.0 6.4 1.0
HG22 A:THR315 4.0 8.6 1.0
HE1 A:HIS149 4.0 7.4 1.0
C A:THR315 4.1 7.8 1.0
HB1 A:ALA10 4.2 13.7 1.0
HB2 A:TYR212 4.2 8.4 1.0
CA A:ALA316 4.2 6.3 1.0
CB A:ALA10 4.3 11.4 1.0
H A:LYS317 4.3 10.2 1.0
HA A:ASP146 4.3 8.7 1.0
CG2 A:THR315 4.3 7.2 1.0
CD2 A:TYR13 4.5 9.4 1.0
CE2 A:TYR13 4.5 10.4 1.0
CB A:TYR212 4.5 7.0 1.0
HG21 A:THR315 4.6 8.6 1.0
HG3 A:MET216 4.6 10.5 1.0
HB3 A:ALA10 4.6 13.7 1.0
HG2 A:MET216 4.7 10.5 1.0
OG1 A:THR315 4.9 8.4 1.0
HB1 A:ALA316 4.9 7.8 1.0
HA A:ALA316 4.9 7.6 1.0
CG A:MET216 4.9 8.8 1.0
N A:LYS317 5.0 8.5 1.0

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 11:52:50 2024

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