Atomistry » Bromine » PDB 3oji-3r1d » 3pvg
Atomistry »
  Bromine »
    PDB 3oji-3r1d »
      3pvg »

Bromine in PDB 3pvg: Crystal Structure of Z. Mays CK2 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68)

Enzymatic activity of Crystal Structure of Z. Mays CK2 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68)

All present enzymatic activity of Crystal Structure of Z. Mays CK2 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68):
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Z. Mays CK2 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68), PDB code: 3pvg 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) 69.50 / 1.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 142.876, 60.041, 45.046, 90.00, 103.21, 90.00
R / Rfree (%) 18.2 / 21.1

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Z. Mays CK2 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68) (pdb code 3pvg). 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 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68), PDB code: 3pvg:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 3pvg

Go back to Bromine Binding Sites List in 3pvg
Bromine binding site 1 out of 4 in the Crystal Structure of Z. Mays CK2 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68)


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 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:67.3
occ:1.00
BR13 A:K681 0.0 67.3 1.0
C1 A:K681 1.9 52.4 1.0
C2 A:K681 2.7 51.3 1.0
C6 A:K681 2.9 48.7 1.0
N21 A:K681 3.1 47.5 1.0
BR15 A:K681 3.4 43.2 1.0
O A:HOH606 3.4 45.1 1.0
SD A:MET163 3.7 29.4 1.0
C3 A:K681 4.0 49.2 1.0
CG2 A:VAL45 4.0 23.7 1.0
C5 A:K681 4.2 49.3 1.0
O A:VAL45 4.2 26.6 1.0
C23 A:K681 4.5 51.7 1.0
CB A:VAL45 4.5 26.1 1.0
C4 A:K681 4.7 48.3 1.0
CE A:MET163 4.7 33.1 1.0
C A:VAL45 4.7 25.4 1.0
N25 A:K681 4.8 49.1 1.0
ND2 A:ASN118 5.0 27.9 1.0
CG A:MET163 5.0 21.7 1.0

Bromine binding site 2 out of 4 in 3pvg

Go back to Bromine Binding Sites List in 3pvg
Bromine binding site 2 out of 4 in the Crystal Structure of Z. Mays CK2 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68)


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 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:43.2
occ:1.00
BR15 A:K681 0.0 43.2 1.0
C6 A:K681 1.9 48.7 1.0
C1 A:K681 2.9 52.4 1.0
C5 A:K681 2.9 49.3 1.0
O A:VAL116 3.0 33.8 1.0
BR17 A:K681 3.2 59.2 1.0
BR13 A:K681 3.4 67.3 1.0
SD A:MET163 3.7 29.4 1.0
CD1 A:ILE66 3.9 24.0 1.0
C A:VAL116 3.9 32.0 1.0
CG A:MET163 3.9 21.7 1.0
CB A:VAL116 4.1 31.1 1.0
C2 A:K681 4.1 51.3 1.0
CG1 A:ILE66 4.2 25.1 1.0
C4 A:K681 4.2 48.3 1.0
CB A:ASN118 4.3 30.9 1.0
CA A:VAL116 4.4 32.0 1.0
N A:VAL116 4.5 29.1 1.0
C3 A:K681 4.6 49.2 1.0
CB A:MET163 4.7 19.2 1.0
N A:ASN118 4.7 34.1 1.0
CG1 A:VAL116 4.8 34.3 1.0

Bromine binding site 3 out of 4 in 3pvg

Go back to Bromine Binding Sites List in 3pvg
Bromine binding site 3 out of 4 in the Crystal Structure of Z. Mays CK2 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68)


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 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:59.2
occ:1.00
BR17 A:K681 0.0 59.2 1.0
C5 A:K681 1.9 49.3 1.0
C6 A:K681 2.9 48.7 1.0
C4 A:K681 2.9 48.3 1.0
BR15 A:K681 3.2 43.2 1.0
BR19 A:K681 3.3 55.9 1.0
CG1 A:ILE66 3.5 25.1 1.0
CG2 A:VAL116 3.9 33.6 1.0
CG2 A:VAL95 4.0 22.2 1.0
CB A:ILE66 4.0 19.9 1.0
CB A:VAL116 4.0 31.1 1.0
CG2 A:ILE174 4.1 15.9 1.0
C1 A:K681 4.2 52.4 1.0
C3 A:K681 4.2 49.2 1.0
N A:VAL116 4.2 29.1 1.0
CG2 A:ILE66 4.2 21.4 1.0
O A:GLU114 4.2 29.3 1.0
CD1 A:ILE66 4.4 24.0 1.0
CG A:MET163 4.7 21.7 1.0
CA A:VAL116 4.7 32.0 1.0
C2 A:K681 4.7 51.3 1.0
O A:VAL116 4.8 33.8 1.0
CB A:PHE113 4.8 18.1 1.0
OE2 A:GLU114 4.8 40.4 1.0

Bromine binding site 4 out of 4 in 3pvg

Go back to Bromine Binding Sites List in 3pvg
Bromine binding site 4 out of 4 in the Crystal Structure of Z. Mays CK2 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68)


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 Alpha Subunit in Complex with the Inhibitor 4,5,6,7-Tetrabromo-1-Carboxymethylbenzimidazole (K68) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:55.9
occ:1.00
BR19 A:K681 0.0 55.9 1.0
C4 A:K681 1.9 48.3 1.0
O A:HOH439 2.6 23.0 1.0
C5 A:K681 2.9 49.3 1.0
C28 A:K681 2.9 45.8 1.0
C3 A:K681 3.0 49.2 1.0
BR17 A:K681 3.3 59.2 1.0
N25 A:K681 3.4 49.1 1.0
O32 A:K681 3.6 34.2 1.0
CD2 A:PHE113 3.7 17.4 1.0
C30 A:K681 3.8 43.8 1.0
CG A:PHE113 4.0 19.7 1.0
CE2 A:PHE113 4.0 16.4 1.0
CG2 A:ILE66 4.0 21.4 1.0
CG2 A:VAL95 4.1 22.2 1.0
CB A:ILE174 4.1 14.4 1.0
CG2 A:ILE174 4.1 15.9 1.0
C6 A:K681 4.2 48.7 1.0
C2 A:K681 4.3 51.3 1.0
CD1 A:PHE113 4.4 19.7 1.0
CZ A:PHE113 4.4 16.1 1.0
CB A:PHE113 4.5 18.1 1.0
CE1 A:PHE113 4.6 18.3 1.0
CD1 A:ILE174 4.7 15.3 1.0
C1 A:K681 4.7 52.4 1.0
CB A:ILE66 4.7 19.9 1.0
C23 A:K681 4.8 51.7 1.0
O34 A:K681 5.0 45.4 1.0
CG1 A:VAL95 5.0 17.1 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: Sat Dec 12 02:14:42 2020

Last articles

Tb in 6TVY
Si in 6Y7O
Rh in 6WRM
Rh in 6WRL
Ni in 6Y8Z
Ni in 6Y8Y
Na in 6ZXZ
Na in 7ACG
Na in 6YLS
Na in 6Y8Z
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy