Atomistry » Bromine » PDB 6rqb-6ts9 » 6spx
Atomistry »
  Bromine »
    PDB 6rqb-6ts9 »
      6spx »

Bromine in PDB 6spx: Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502

Enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502

All present enzymatic activity of Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502:
2.7.11.1;

Protein crystallography data

The structure of Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502, PDB code: 6spx was solved by K.Niefind, A.Schnitzler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.72 / 1.99
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.761, 45.717, 63.727, 90.00, 110.69, 90.00
R / Rfree (%) 18.4 / 22.3

Bromine Binding Sites:

The binding sites of Bromine atom in the Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502 (pdb code 6spx). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502, PDB code: 6spx:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 6spx

Go back to Bromine Binding Sites List in 6spx
Bromine binding site 1 out of 4 in the Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br101

b:41.1
occ:1.00
 BR2 B:9AB101 0.0 41.1 1.0
CCO B:9AB101 1.9 40.3 1.0
CCQ B:9AB101 2.8 46.1 1.0
CCP B:9AB101 2.9 42.4 1.0
BR1 B:9AB101 3.1 65.2 1.0
O A:GLU114 3.2 30.2 1.0
BR3 B:9AB101 3.4 46.2 1.0
CG2 A:VAL66 3.6 29.5 1.0
CD1 A:ILE95 3.7 27.2 1.0
CB A:VAL66 3.9 31.0 1.0
CCS B:9AB101 4.1 37.1 1.0
CCR B:9AB101 4.2 51.6 1.0
N A:VAL116 4.3 33.0 1.0
CB A:PHE113 4.3 27.2 1.0
C A:GLU114 4.4 31.5 1.0
CG1 A:VAL66 4.4 27.8 1.0
CG2 A:VAL116 4.4 35.7 1.0
CG1 A:ILE95 4.4 30.1 1.0
CA A:HIS115 4.6 35.8 1.0
CB A:VAL116 4.6 39.0 1.0
CCT B:9AB101 4.7 38.0 1.0
C A:HIS115 4.7 34.8 1.0
CG2 A:ILE174 4.8 24.6 1.0
CG A:MET163 4.8 28.1 1.0
N A:HIS115 5.0 34.5 1.0

Bromine binding site 2 out of 4 in 6spx

Go back to Bromine Binding Sites List in 6spx
Bromine binding site 2 out of 4 in the Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br101

b:46.2
occ:1.00
 BR3 B:9AB101 0.0 46.2 1.0
CCP B:9AB101 1.9 42.4 1.0
CCO B:9AB101 2.9 40.3 1.0
CCR B:9AB101 2.9 51.6 1.0
O A:VAL116 3.1 42.1 1.0
BR4 B:9AB101 3.3 77.1 1.0
BR2 B:9AB101 3.4 41.1 1.0
SD A:MET163 4.0 28.9 1.0
N A:VAL116 4.0 33.0 1.0
CG2 A:VAL66 4.0 29.5 1.0
C A:VAL116 4.0 39.5 1.0
CB A:VAL116 4.1 39.0 1.0
CCQ B:9AB101 4.1 46.1 1.0
CCT B:9AB101 4.2 38.0 1.0
CB A:ASN118 4.2 36.3 1.0
CA A:VAL116 4.3 37.0 1.0
CG A:MET163 4.4 28.1 1.0
CCS B:9AB101 4.6 37.1 1.0
ND1 A:HIS115 4.6 40.8 1.0
CE1 A:HIS115 4.7 40.1 1.0
N A:ASN118 4.7 36.5 1.0
CB A:MET163 4.9 25.6 1.0

Bromine binding site 3 out of 4 in 6spx

Go back to Bromine Binding Sites List in 6spx
Bromine binding site 3 out of 4 in the Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br101

b:65.2
occ:1.00
 BR1 B:9AB101 0.0 65.2 1.0
CCQ B:9AB101 1.9 46.1 1.0
CCO B:9AB101 2.8 40.3 1.0
CCS B:9AB101 2.8 37.1 1.0
BR2 B:9AB101 3.1 41.1 1.0
NBS B:9AB101 3.2 35.8 1.0
O A:HOH606 3.3 22.2 1.0
O B:HOH201 3.3 31.3 1.0
CD2 A:PHE113 3.5 26.0 1.0
CG A:PHE113 3.7 26.3 1.0
CB A:PHE113 3.9 27.2 1.0
CCP B:9AB101 4.1 42.4 1.0
CCT B:9AB101 4.1 38.0 1.0
CE2 A:PHE113 4.1 25.3 1.0
CG1 A:VAL66 4.2 27.8 1.0
CG2 A:ILE174 4.2 24.6 1.0
CB A:ILE174 4.3 23.6 1.0
CD1 A:ILE174 4.4 27.3 1.0
CG1 A:ILE95 4.4 30.1 1.0
CD1 A:PHE113 4.5 25.9 1.0
CB A:VAL66 4.5 31.0 1.0
CBA B:9AB101 4.5 35.3 1.0
CCR B:9AB101 4.6 51.6 1.0
CD1 A:ILE95 4.7 27.2 1.0
CZ A:PHE113 4.8 30.2 1.0
CG1 A:ILE174 4.9 20.2 1.0
CE1 A:PHE113 5.0 27.4 1.0
NDB B:9AB101 5.0 36.9 1.0

Bromine binding site 4 out of 4 in 6spx

Go back to Bromine Binding Sites List in 6spx
Bromine binding site 4 out of 4 in the Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Protein Kinase CK2 Catalytic Subunit in Complex with the CK2BETA-Competitive Bisubstrate Inhibitor ARC1502 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br101

b:77.1
occ:1.00
 BR4 B:9AB101 0.0 77.1 1.0
CCR B:9AB101 1.9 51.6 1.0
CCP B:9AB101 2.8 42.4 1.0
CCT B:9AB101 2.9 38.0 1.0
O A:HOH634 2.9 33.5 1.0
CBL B:9AB101 3.3 44.6 1.0
BR3 B:9AB101 3.3 46.2 1.0
NDB B:9AB101 3.4 36.9 1.0
SD A:MET163 3.7 28.9 1.0
CD1 A:LEU45 4.0 33.2 1.0
CCS B:9AB101 4.1 37.1 1.0
CCO B:9AB101 4.1 40.3 1.0
ND2 A:ASN118 4.4 36.3 1.0
CCQ B:9AB101 4.6 46.1 1.0
CBA B:9AB101 4.7 35.3 1.0
CE A:MET163 4.7 22.9 1.0
CBI B:9AB101 4.7 55.6 1.0
CB A:ASN118 4.7 36.3 1.0

Reference:

K.Niefind, A.Schnitzler, A.Uri, M.Pietsch, J.Jose, C.Nienberg, M.Steinkrueger, K.Viht. Unexpected CK2 Beta-Antagonistic Functionality of Bisubstrate Inhibitors Targeting Protein Kinase CK2 Bioorg.Chem. 2020.
ISSN: ISSN 0045-2068
DOI: 10.1016/J.BIOORG.2020.103608
Page generated: Thu Jul 11 02:38:35 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