Atomistry » Sodium » PDB 6h6r-6hj3 » 6hbn
Atomistry »
  Sodium »
    PDB 6h6r-6hj3 »
      6hbn »

Sodium in PDB 6hbn: High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27

Enzymatic activity of High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27

All present enzymatic activity of High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27:
2.7.11.1;

Protein crystallography data

The structure of High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27, PDB code: 6hbn was solved by K.Niefind, J.Hochscherf, V.Dimper, B.Witulski, D.Lindenblatt, J.Jose, M.Leborgne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.02 / 1.59
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.550, 71.620, 128.030, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 21.7

Other elements in 6hbn:

The structure of High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27 also contains other interesting chemical elements:

Chlorine (Cl) 10 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27 (pdb code 6hbn). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27, PDB code: 6hbn:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in 6hbn

Go back to Sodium Binding Sites List in 6hbn
Sodium binding site 1 out of 3 in the High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na407

b:37.7
occ:1.00
 O A:GLU114 2.3 31.7 1.0
O A:LYS64 2.3 30.7 1.0
O A:HOH519 2.4 41.8 1.0
O A:HOH739 2.4 54.7 1.0
O A:HOH717 2.7 67.7 1.0
C A:GLU114 3.4 30.4 1.0
C A:LYS64 3.5 30.3 1.0
CA A:GLU114 4.2 31.4 1.0
CG1 A:VAL65 4.2 30.2 1.0
OE1 A:GLU63 4.3 53.2 1.0
N A:LYS64 4.3 33.6 1.0
N A:HIS115 4.4 33.5 1.0
N A:VAL65 4.4 29.7 1.0
CB A:GLU63 4.5 42.0 1.0
CA A:VAL65 4.5 29.5 1.0
CA A:HIS115 4.5 36.8 1.0
CA A:LYS64 4.5 30.5 1.0
O A:HOH741 4.5 41.0 1.0
CB A:GLU114 4.6 35.1 1.0
C A:GLU63 4.8 32.5 1.0
N A:VAL116 4.9 38.6 1.0
CB A:VAL65 5.0 29.6 1.0

Sodium binding site 2 out of 3 in 6hbn

Go back to Sodium Binding Sites List in 6hbn
Sodium binding site 2 out of 3 in the High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na407

b:36.6
occ:1.00
 O B:LYS64 2.3 29.5 1.0
O B:GLU114 2.3 29.6 1.0
O B:HOH545 2.5 45.3 1.0
C B:GLU114 3.5 28.6 1.0
C B:LYS64 3.5 27.8 1.0
N B:LYS64 4.2 32.1 1.0
CA B:GLU114 4.3 26.7 1.0
OE1 B:GLU63 4.3 52.7 1.0
CB B:GLU63 4.4 38.5 1.0
CA B:LYS64 4.4 27.7 1.0
CG1 B:VAL65 4.4 30.8 1.0
N B:HIS115 4.4 28.5 1.0
N B:VAL65 4.5 27.1 1.0
CA B:HIS115 4.5 31.0 1.0
CA B:VAL65 4.6 27.3 1.0
O B:HOH736 4.6 37.3 1.0
CB B:GLU114 4.7 28.2 1.0
C B:GLU63 4.7 31.5 1.0
N B:VAL116 4.9 33.7 1.0
CB B:LYS64 4.9 29.4 1.0

Sodium binding site 3 out of 3 in 6hbn

Go back to Sodium Binding Sites List in 6hbn
Sodium binding site 3 out of 3 in the High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of High-Salt Structure of Protein Kinase CK2 Catalytic Subunit (Isoform CK2ALPHA/CSKN2A1 Gene Product) in Complex with the Indenoindole-Type Inhibitor THN27 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na408

b:32.4
occ:1.00
 O B:THR60 2.4 39.9 1.0
O A:HOH537 2.4 28.0 1.0
O B:HOH763 2.4 36.5 1.0
O B:HOH553 2.4 39.5 1.0
O A:HOH688 2.6 34.8 1.0
C B:THR60 3.4 37.0 1.0
OD2 A:ASP38 3.8 35.8 1.0
CA B:ASN61 4.1 36.5 1.0
CB B:ASN61 4.1 35.6 1.0
N B:ASN61 4.1 33.0 1.0
OD2 A:ASP99 4.2 33.7 1.0
O A:HOH582 4.2 35.5 1.0
CA A:GLY34 4.4 38.0 1.0
CB B:THR60 4.4 38.1 1.0
CA B:THR60 4.4 34.5 1.0
N A:ASN35 4.5 42.5 1.0
OG1 B:THR60 4.5 37.9 1.0
O B:HOH690 4.6 37.2 1.0
O A:HOH716 4.7 37.3 1.0
O B:HOH750 4.7 45.7 1.0
O B:HOH522 4.8 42.3 1.0
C A:GLY34 5.0 43.2 1.0
OD1 A:ASP99 5.0 34.5 1.0
CG A:ASP99 5.0 31.6 1.0

Reference:

D.Lindenblatt, A.Nickelsen, V.M.Applegate, J.Hochscherf, B.Witulski, Z.Bouaziz, C.Marminon, M.Bretner, M.Le Borgne, J.Jose, K.Niefind. Diacritic Binding of An Indenoindole Inhibitor By CK2 Alpha Paralogs Explored By A Reliable Path to Atomic Resolution CK2 Alpha ' Structures. Acs Omega V. 4 5471 2019.
ISSN: ESSN 2470-1343
PubMed: 31559376
DOI: 10.1021/ACSOMEGA.8B03415
Page generated: Tue Oct 8 09:16:37 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy