Chlorine in PDB 7psu: Structure of Protein Kinase CK2ALPHA Mutant K198R Associated with the Okur-Chung Neurodevelopmental Syndrome

All present enzymatic activity of Structure of Protein Kinase CK2ALPHA Mutant K198R Associated with the Okur-Chung Neurodevelopmental Syndrome:
2.7.11.1;

The structure of Structure of Protein Kinase CK2ALPHA Mutant K198R Associated with the Okur-Chung Neurodevelopmental Syndrome, PDB code: 7psu was solved by C.Werner, A.Gast, D.Lindenblatt, K.Nickelsen, K.Niefind, J.Jose, J.Hochscherf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.90 / 1.77
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	127.824, 127.824, 123.18, 90, 90, 90
R / Rfree (%)	18 / 21.8

The binding sites of Chlorine atom in the Structure of Protein Kinase CK2ALPHA Mutant K198R Associated with the Okur-Chung Neurodevelopmental Syndrome (pdb code 7psu). 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 CK2ALPHA Mutant K198R Associated with the Okur-Chung Neurodevelopmental Syndrome, PDB code: 7psu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Protein Kinase CK2ALPHA Mutant K198R Associated with the Okur-Chung Neurodevelopmental Syndrome


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 CK2ALPHA Mutant K198R Associated with the Okur-Chung Neurodevelopmental Syndrome within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl411 b:9.5 occ:0.56 CL A:CL411 0.0 9.5 0.6 CL A:CL411 2.5 7.0 0.4 ND1 A:HIS148 2.8 7.6 1.0 O A:HOH541 3.1 6.0 1.0 N A:ALA315 3.2 9.1 1.0 CE1 A:HIS148 3.7 7.7 1.0 CB A:THR314 3.7 12.6 1.0 CG A:HIS148 3.8 7.2 1.0 CA A:THR314 3.9 9.1 1.0 CB A:ALA315 3.9 8.9 1.0 CB A:HIS148 4.0 7.1 1.0 C A:THR314 4.0 9.3 1.0 CA A:ALA315 4.2 9.3 1.0 CG2 A:VAL11 4.2 8.6 1.0 CB A:TYR211 4.4 6.9 1.0 CG2 A:THR314 4.4 8.8 1.0 CE2 A:TYR12 4.6 11.3 1.0 CD2 A:TYR12 4.7 8.6 1.0 OG1 A:THR314 4.8 9.3 1.0 NE2 A:HIS148 4.8 7.4 1.0 SD A:MET215 4.8 9.0 1.0 CD2 A:HIS148 4.8 7.1 1.0 CG A:MET215 4.9 8.8 1.0 O A:HOH620 5.0 10.2 1.0

Chlorine binding site 2 out of 3 in the Structure of Protein Kinase CK2ALPHA Mutant K198R Associated with the Okur-Chung Neurodevelopmental Syndrome


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 CK2ALPHA Mutant K198R Associated with the Okur-Chung Neurodevelopmental Syndrome within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl411 b:7.0 occ:0.44 CL A:CL411 0.0 7.0 0.4 CL A:CL411 2.5 9.5 0.6 O A:HOH620 2.9 10.2 1.0 O A:HOH675 3.3 16.9 1.0 N A:SER212 3.6 7.4 1.0 CB A:TYR211 3.6 6.9 1.0 CA A:SER212 3.8 7.8 1.0 C A:TYR211 3.8 7.3 1.0 CA A:THR314 4.0 9.1 1.0 CG A:MET215 4.0 8.8 1.0 CB A:THR314 4.2 12.6 1.0 CG2 A:THR314 4.2 8.8 1.0 O A:TYR211 4.2 7.5 1.0 ND1 A:HIS148 4.2 7.6 1.0 CB A:SER212 4.2 8.0 1.0 CA A:TYR211 4.4 6.8 1.0 CE1 A:HIS148 4.4 7.7 1.0 CG2 A:VAL11 4.5 8.6 1.0 N A:ALA315 4.6 9.1 1.0 O A:LEU313 4.6 9.5 1.0 CG A:TYR211 4.7 6.6 1.0 O A:HOH606 4.7 12.1 1.0 CD2 A:TYR211 4.8 6.5 1.0 C A:THR314 4.8 9.3 1.0 SD A:MET215 4.9 9.0 1.0 OD1 A:ASP210 4.9 16.3 1.0 N A:THR314 4.9 9.5 1.0

Chlorine binding site 3 out of 3 in the Structure of Protein Kinase CK2ALPHA Mutant K198R Associated with the Okur-Chung Neurodevelopmental Syndrome


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 CK2ALPHA Mutant K198R Associated with the Okur-Chung Neurodevelopmental Syndrome within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl409 b:18.9 occ:1.00 ND1 B:HIS148 2.8 3.3 1.0 O B:HOH557 2.9 4.0 1.0 O B:HOH724 2.9 6.7 1.0 N B:ALA315 3.1 7.9 1.0 CG B:HIS148 3.7 3.1 1.0 CB B:ALA315 3.7 8.3 1.0 CE1 B:HIS148 3.7 3.8 1.0 CB B:THR314 3.8 10.1 1.0 CB B:HIS148 3.9 2.9 1.0 CA B:THR314 3.9 7.7 1.0 C B:THR314 4.0 7.8 1.0 CA B:ALA315 4.0 8.2 1.0 CG2 B:VAL11 4.2 6.3 1.0 CB B:TYR211 4.4 2.8 1.0 CE2 B:TYR12 4.5 5.4 1.0 CG2 B:THR314 4.6 8.0 1.0 CD2 B:TYR12 4.7 5.3 1.0 SD B:MET215 4.7 4.3 1.0 NE2 B:HIS148 4.8 3.7 1.0 CD2 B:HIS148 4.8 3.3 1.0 OG1 B:THR314 4.9 8.4 1.0 OD1 B:ASP145 4.9 9.3 1.0 N B:ARG316 4.9 8.9 1.0 CG B:MET215 5.0 3.3 1.0 O B:HOH703 5.0 11.9 1.0

C.Werner, A.Gast, D.Lindenblatt, A.Nickelsen, K.Niefind, J.Jose, J.Hochscherf. Structural and Enzymological Evidence For An Altered Substrate Specificity in Okur-Chung Neurodevelopmental Syndrome Mutant CK2 Alpha LYS198ARG. Front Mol Biosci V. 9 31693 2022.
ISSN: ESSN 2296-889X
PubMed: 35445078
DOI: 10.3389/FMOLB.2022.831693