Atomistry » Bromine » PDB 3jum-3m96 » 3kxh
Atomistry »
  Bromine »
    PDB 3jum-3m96 »
      3kxh »

Bromine in PDB 3kxh: Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66)

Enzymatic activity of Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66)

All present enzymatic activity of Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66):
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66), PDB code: 3kxh was solved by E.Papinutto, C.Franchin, R.Battistutta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.84 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 143.838, 60.411, 47.094, 90.00, 103.93, 90.00
R / Rfree (%) 21.2 / 26.6

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66) (pdb code 3kxh). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66), PDB code: 3kxh:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 3kxh

Go back to Bromine Binding Sites List in 3kxh
Bromine binding site 1 out of 4 in the Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:20.1
occ:1.00
 BR13 A:K661 0.0 20.1 1.0
C4 A:K661 1.9 7.0 1.0
C5 A:K661 2.9 17.1 1.0
C3 A:K661 2.9 12.8 1.0
C34 A:K661 2.9 16.6 1.0
C36 A:K661 2.9 18.2 1.0
N23 A:K661 3.2 16.3 1.0
BR15 A:K661 3.3 29.3 1.0
CD2 A:PHE113 3.3 13.7 1.0
O38 A:K661 3.3 20.9 1.0
O40 A:K661 3.4 21.4 1.0
CG A:PHE113 3.6 13.8 1.0
CE2 A:PHE113 3.6 15.8 1.0
CD1 A:PHE113 4.0 13.2 1.0
CZ A:PHE113 4.0 11.4 1.0
CG2 A:ILE66 4.0 11.2 1.0
CB A:PHE113 4.1 11.0 1.0
C6 A:K661 4.2 15.0 1.0
C2 A:K661 4.2 11.3 1.0
CE1 A:PHE113 4.2 9.2 1.0
CG2 A:VAL95 4.4 12.7 1.0
C25 A:K661 4.5 16.8 1.0
CG2 A:ILE174 4.5 13.3 1.0
CB A:ILE174 4.6 11.5 1.0
C1 A:K661 4.7 13.0 1.0
CB A:ILE66 4.8 11.8 1.0
CD1 A:ILE174 5.0 7.6 1.0
CG1 A:VAL95 5.0 9.6 1.0

Bromine binding site 2 out of 4 in 3kxh

Go back to Bromine Binding Sites List in 3kxh
Bromine binding site 2 out of 4 in the Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:29.3
occ:1.00
 BR15 A:K661 0.0 29.3 1.0
C5 A:K661 1.9 17.1 1.0
C4 A:K661 2.8 7.0 1.0
C6 A:K661 2.8 15.0 1.0
BR17 A:K661 3.3 25.5 1.0
BR13 A:K661 3.3 20.1 1.0
O A:GLU114 3.3 15.9 1.0
CG1 A:ILE66 3.6 15.2 1.0
CB A:ILE66 3.9 11.8 1.0
CG2 A:VAL95 4.0 12.7 1.0
CG2 A:ILE66 4.0 11.2 1.0
C3 A:K661 4.1 12.8 1.0
C1 A:K661 4.2 13.0 1.0
CB A:PHE113 4.2 11.0 1.0
CG2 A:ILE174 4.5 13.3 1.0
C A:GLU114 4.5 13.7 1.0
CG2 A:VAL116 4.5 18.9 1.0
N A:VAL116 4.6 14.7 1.0
CD1 A:ILE66 4.6 18.4 1.0
C2 A:K661 4.7 11.3 1.0
CG A:PHE113 4.8 13.8 1.0
CB A:VAL116 4.9 16.9 1.0
CG A:MET163 5.0 15.7 1.0

Bromine binding site 3 out of 4 in 3kxh

Go back to Bromine Binding Sites List in 3kxh
Bromine binding site 3 out of 4 in the Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:25.5
occ:1.00
 BR17 A:K661 0.0 25.5 1.0
C6 A:K661 1.9 15.0 1.0
C1 A:K661 2.8 13.0 1.0
C5 A:K661 2.8 17.1 1.0
BR15 A:K661 3.3 29.3 1.0
BR19 A:K661 3.3 35.9 1.0
O A:VAL116 3.3 18.4 1.0
SD A:MET163 3.7 17.8 1.0
CG A:MET163 3.9 15.7 1.0
CB A:VAL116 4.0 16.9 1.0
CD1 A:ILE66 4.1 18.4 1.0
CG1 A:ILE66 4.1 15.2 1.0
N A:VAL116 4.1 14.7 1.0
C2 A:K661 4.1 11.3 1.0
C4 A:K661 4.1 7.0 1.0
O A:HOH515 4.2 28.4 1.0
C A:VAL116 4.2 15.7 1.0
CA A:VAL116 4.4 16.1 1.0
CB A:MET163 4.5 11.1 1.0
CB A:ASN118 4.6 17.5 1.0
C3 A:K661 4.6 12.8 1.0
CG2 A:VAL116 4.7 18.9 1.0
CG1 A:VAL116 5.0 19.0 1.0

Bromine binding site 4 out of 4 in 3kxh

Go back to Bromine Binding Sites List in 3kxh
Bromine binding site 4 out of 4 in the Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Z. Mays CK2 Kinase Alpha Subunit in Complex with the Inhibitor (2-Dymethylammino-4,5,6,7-Tetrabromobenzoimidazol-1YL- Acetic Acid (K66) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:35.9
occ:1.00
 BR19 A:K661 0.0 35.9 1.0
C1 A:K661 1.9 13.0 1.0
C2 A:K661 2.9 11.3 1.0
C6 A:K661 2.9 15.0 1.0
BR17 A:K661 3.3 25.5 1.0
SD A:MET163 3.3 17.8 1.0
N21 A:K661 3.3 14.8 1.0
O A:HOH514 3.8 25.9 1.0
C3 A:K661 4.1 12.8 1.0
C5 A:K661 4.2 17.1 1.0
O A:HOH515 4.3 28.4 1.0
CE A:MET163 4.3 18.3 1.0
CG2 A:VAL45 4.6 10.1 1.0
CG A:MET163 4.6 15.7 1.0
C25 A:K661 4.6 16.8 1.0
C4 A:K661 4.7 7.0 1.0
CB A:ASN118 4.7 17.5 1.0
ND2 A:ASN118 4.8 16.3 1.0
O A:VAL45 4.8 16.0 1.0

Reference:

S.Sarno, E.Papinutto, C.Franchin, J.Bain, M.Elliott, F.Meggio, Z.Kazimierczuk, A.Orzeszko, G.Zanotti, R.Battistutta, L.A.Pinna. Atp Site-Directed Inhibitors of Protein Kinase CK2: An Update. Curr Top Med Chem V. 11 1340 2011.
ISSN: ISSN 1568-0266
PubMed: 21513497
Page generated: Wed Jul 10 19:51:43 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