Atomistry » Chlorine » PDB 6tdg-6tly » 6tgu
Atomistry »
  Chlorine »
    PDB 6tdg-6tly »
      6tgu »

Chlorine in PDB 6tgu: Crystal Structure of Human Protein Kinase CK2ALPHA'(CSNK2A2 Gene Product) in Complex with the 2-Aminothiazole-Type Inhibitor Cl-Oh-3

Enzymatic activity of Crystal Structure of Human Protein Kinase CK2ALPHA'(CSNK2A2 Gene Product) in Complex with the 2-Aminothiazole-Type Inhibitor Cl-Oh-3

All present enzymatic activity of Crystal Structure of Human Protein Kinase CK2ALPHA'(CSNK2A2 Gene Product) in Complex with the 2-Aminothiazole-Type Inhibitor Cl-Oh-3:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human Protein Kinase CK2ALPHA'(CSNK2A2 Gene Product) in Complex with the 2-Aminothiazole-Type Inhibitor Cl-Oh-3, PDB code: 6tgu was solved by K.Niefind, D.Lindenblatt, J.Jose, V.M.Applegate, A.Nickelsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.29 / 0.83
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 46.288, 47.532, 50.403, 66.80, 90.28, 89.59
R / Rfree (%) 14.4 / 16.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Protein Kinase CK2ALPHA'(CSNK2A2 Gene Product) in Complex with the 2-Aminothiazole-Type Inhibitor Cl-Oh-3 (pdb code 6tgu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Protein Kinase CK2ALPHA'(CSNK2A2 Gene Product) in Complex with the 2-Aminothiazole-Type Inhibitor Cl-Oh-3, PDB code: 6tgu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6tgu

Go back to Chlorine Binding Sites List in 6tgu
Chlorine binding site 1 out of 2 in the Crystal Structure of Human Protein Kinase CK2ALPHA'(CSNK2A2 Gene Product) in Complex with the 2-Aminothiazole-Type Inhibitor Cl-Oh-3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Protein Kinase CK2ALPHA'(CSNK2A2 Gene Product) in Complex with the 2-Aminothiazole-Type Inhibitor Cl-Oh-3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:20.8
occ:0.45
 CL1 A:N92401 0.0 20.8 0.5
C15 A:N92401 1.7 14.9 0.5
C17 A:N92401 2.7 13.3 0.5
C14 A:N92401 2.7 16.3 0.5
HA3 A:GLY47 2.7 57.0 0.0
H141 A:N92401 2.8 43.5 0.5
H171 A:N92401 2.8 10.2 0.5
O A:HOH757 2.9 29.4 1.0
HA2 A:GLY47 3.4 43.9 1.0
O A:LEU46 3.5 21.4 1.0
CA A:GLY47 3.5 25.9 1.0
HE1 A:HIS161 3.8 17.2 0.6
C18 A:N92401 4.0 13.8 0.5
C13 A:N92401 4.0 13.3 0.5
H A:ARG48 4.0 22.9 0.7
C A:LEU46 4.2 18.4 1.0
N A:GLY47 4.3 22.7 1.0
CE1 A:HIS161 4.4 14.4 0.6
C12 A:N92401 4.5 12.6 0.5
N A:ARG48 4.5 18.4 1.0
C A:GLY47 4.6 17.0 1.0
H131 A:N92401 4.7 8.6 0.5
H181 A:N92401 4.7 29.3 0.5

Chlorine binding site 2 out of 2 in 6tgu

Go back to Chlorine Binding Sites List in 6tgu
Chlorine binding site 2 out of 2 in the Crystal Structure of Human Protein Kinase CK2ALPHA'(CSNK2A2 Gene Product) in Complex with the 2-Aminothiazole-Type Inhibitor Cl-Oh-3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Protein Kinase CK2ALPHA'(CSNK2A2 Gene Product) in Complex with the 2-Aminothiazole-Type Inhibitor Cl-Oh-3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:22.5
occ:0.55
 CL1 A:N92401 0.0 22.5 0.6
C15 A:N92401 1.7 17.1 0.6
C17 A:N92401 2.7 16.2 0.6
C14 A:N92401 2.7 17.9 0.6
H141 A:N92401 2.8 37.5 0.6
H171 A:N92401 2.8 28.9 0.6
OD1 A:ASN118 3.4 17.2 1.0
O A:ASN119 3.7 14.6 0.7
O A:ASN119 3.7 12.2 0.3
O A:HOH611 3.7 29.4 1.0
H A:ASN119 3.8 12.7 0.3
HA A:ASN118 3.9 7.8 0.6
H A:ASN119 3.9 13.0 0.7
OH A:TYR116 3.9 29.7 1.0
OD1 A:ASN119 4.0 12.7 0.3
C18 A:N92401 4.0 15.2 0.6
C13 A:N92401 4.0 13.8 0.6
N A:ASN119 4.2 12.0 0.3
N A:ASN119 4.3 13.4 0.7
HH A:TYR116 4.4 84.2 0.0
C12 A:N92401 4.5 14.0 0.6
HB3 A:ASN119 4.5 12.2 0.7
CG A:ASN118 4.6 16.2 1.0
C A:ASN118 4.6 12.7 1.0
C A:ASN119 4.7 13.0 0.7
CA A:ASN118 4.7 13.1 1.0
H181 A:N92401 4.7 24.6 0.6
H131 A:N92401 4.7 5.5 0.6
C A:ASN119 4.7 11.8 0.3
HH21 A:ARG44 4.8 68.6 1.0
CG A:ASN119 4.9 12.2 0.3
CA A:ASN119 4.9 15.2 0.7

Reference:

D.Lindenblatt, A.Nickelsen, V.M.Applegate, J.Jose, K.Niefind. Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. J.Med.Chem. V. 63 7766 2020.
ISSN: ISSN 0022-2623
PubMed: 32589844
DOI: 10.1021/ACS.JMEDCHEM.0C00587
Page generated: Mon Jul 29 15:26:21 2024

Last articles

Zn in 9JPJ
Zn 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
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy