Atomistry » Bromine » PDB 6tu4-6vrk » 6tvn
Atomistry »
  Bromine »
    PDB 6tu4-6vrk »
      6tvn »

Bromine in PDB 6tvn: Crystal Structure of 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase

Enzymatic activity of Crystal Structure of 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase

All present enzymatic activity of Crystal Structure of 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase, PDB code: 6tvn was solved by P.Brear, J.Wagstaff, M.Hyvonen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.45 / 2.31
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 67.775, 65.400, 79.752, 90.00, 101.34, 90.00
R / Rfree (%) 22.5 / 25.7

Other elements in 6tvn:

The structure of Crystal Structure of 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Zinc (Zn) 4 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase (pdb code 6tvn). 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 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase, PDB code: 6tvn:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 6tvn

Go back to Bromine Binding Sites List in 6tvn
Bromine binding site 1 out of 4 in the Crystal Structure of 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase


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 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br201

b:46.7
occ:1.00
BR A:NYQ201 0.0 46.7 1.0
C A:NYQ201 1.9 49.2 1.0
C1 A:NYQ201 2.8 47.5 1.0
C7 A:NYQ201 2.8 52.2 1.0
O A:LEU37 3.6 31.1 1.0
CD1 A:TYR39 3.7 36.7 1.0
CG1 A:ILE56 3.8 45.1 1.0
CD1 A:ILE56 3.9 44.7 1.0
CE2 A:PHE30 4.1 33.3 1.0
CD2 A:LEU111 4.1 40.4 1.0
C2 A:NYQ201 4.1 49.9 1.0
C6 A:NYQ201 4.1 53.1 1.0
N A:ILE56 4.2 42.5 1.0
CA A:SER55 4.2 37.5 1.0
C A:LEU37 4.2 33.0 1.0
CG A:LEU37 4.2 38.6 1.0
C A:SER55 4.3 44.5 1.0
CB A:TYR39 4.4 31.2 1.0
CG A:TYR39 4.4 34.8 1.0
CE1 A:TYR39 4.4 38.2 1.0
C A:SER38 4.5 31.2 1.0
N A:SER55 4.5 36.7 1.0
CA A:SER38 4.5 28.5 1.0
N A:TYR39 4.5 27.8 1.0
O A:GLY54 4.6 39.5 1.0
CB A:ILE56 4.6 45.4 1.0
CD2 A:LEU37 4.6 38.0 1.0
CD2 A:PHE30 4.6 29.6 1.0
C3 A:NYQ201 4.6 52.2 1.0
C A:GLY54 4.7 39.9 1.0
N A:SER38 4.7 28.4 1.0
CB A:LEU37 4.8 34.7 1.0
O A:SER38 4.9 30.8 1.0
O A:SER55 4.9 44.6 1.0
CZ A:PHE30 5.0 31.2 1.0

Bromine binding site 2 out of 4 in 6tvn

Go back to Bromine Binding Sites List in 6tvn
Bromine binding site 2 out of 4 in the Crystal Structure of 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase


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 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br201

b:60.9
occ:1.00
BR B:NYQ201 0.0 60.9 1.0
C B:NYQ201 1.9 63.2 1.0
C1 B:NYQ201 2.8 65.1 1.0
C7 B:NYQ201 2.9 63.1 1.0
CD1 B:TYR39 3.6 36.4 1.0
O B:LEU37 3.7 32.6 1.0
CG1 B:ILE56 3.9 50.6 1.0
CD1 B:ILE56 3.9 52.7 1.0
CD2 B:LEU111 4.1 45.9 1.0
C2 B:NYQ201 4.1 67.1 1.0
C6 B:NYQ201 4.2 63.7 1.0
CG B:LEU37 4.2 31.7 1.0
CA B:SER55 4.3 45.9 1.0
C B:LEU37 4.3 34.0 1.0
CE2 B:PHE30 4.3 31.4 1.0
CG B:TYR39 4.3 34.0 1.0
CB B:TYR39 4.3 32.3 1.0
N B:ILE56 4.3 48.4 1.0
CE1 B:TYR39 4.3 38.0 1.0
C B:SER55 4.4 50.6 1.0
N B:TYR39 4.4 31.2 1.0
O B:GLY54 4.4 46.0 1.0
CA B:SER38 4.4 33.0 1.0
N B:SER55 4.4 45.4 1.0
CD2 B:LEU37 4.5 34.5 1.0
C B:SER38 4.5 35.3 1.0
C B:GLY54 4.5 46.8 1.0
N B:SER38 4.6 32.5 1.0
C3 B:NYQ201 4.6 66.0 1.0
CB B:ILE56 4.7 51.1 1.0
CD2 B:PHE30 4.8 27.1 1.0
CB B:LEU37 4.8 29.2 1.0
O B:SER55 5.0 49.4 1.0

Bromine binding site 3 out of 4 in 6tvn

Go back to Bromine Binding Sites List in 6tvn
Bromine binding site 3 out of 4 in the Crystal Structure of 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase


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 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br201

b:73.7
occ:1.00
BR C:NYQ201 0.0 73.7 1.0
C C:NYQ201 1.9 75.2 1.0
C1 C:NYQ201 2.8 74.6 1.0
C7 C:NYQ201 2.8 75.2 1.0
O C:LEU37 3.6 40.5 1.0
CD1 C:TYR39 3.6 46.8 1.0
CG1 C:ILE56 3.8 52.2 1.0
CD1 C:ILE56 3.9 57.6 1.0
C2 C:NYQ201 4.1 74.0 1.0
C6 C:NYQ201 4.1 74.4 1.0
CG C:LEU37 4.2 43.9 1.0
CD2 C:LEU111 4.2 44.9 1.0
N C:ILE56 4.2 49.9 1.0
C C:LEU37 4.2 43.6 1.0
CE2 C:PHE30 4.2 37.6 1.0
CA C:SER55 4.2 49.9 1.0
C C:SER55 4.3 54.4 1.0
CE1 C:TYR39 4.3 47.3 1.0
N C:TYR39 4.4 38.3 1.0
CA C:SER38 4.4 40.5 1.0
CG C:TYR39 4.4 45.4 1.0
N C:SER55 4.4 49.9 1.0
CB C:TYR39 4.5 40.4 1.0
CD2 C:LEU37 4.5 45.1 1.0
C C:SER38 4.5 42.3 1.0
CB C:ILE56 4.6 50.7 1.0
N C:SER38 4.6 40.9 1.0
C C:GLY54 4.6 52.4 1.0
O C:GLY54 4.6 49.2 1.0
C3 C:NYQ201 4.6 74.0 1.0
CD2 C:PHE30 4.7 34.6 1.0
CB C:LEU37 4.7 41.2 1.0
O C:SER55 4.9 56.0 1.0
CA C:ILE56 5.0 48.4 1.0

Bromine binding site 4 out of 4 in 6tvn

Go back to Bromine Binding Sites List in 6tvn
Bromine binding site 4 out of 4 in the Crystal Structure of 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase


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 5-Bromoindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br201

b:91.4
occ:1.00
BR D:NYQ201 0.0 91.4 1.0
C D:NYQ201 1.9 92.3 1.0
C1 D:NYQ201 2.8 93.8 1.0
C7 D:NYQ201 2.9 91.5 1.0
CD1 D:TYR39 3.6 56.1 1.0
CG1 D:ILE56 3.7 58.2 1.0
CD1 D:ILE56 3.8 64.3 1.0
O D:LEU37 3.8 51.5 1.0
CD2 D:LEU111 3.9 45.7 1.0
C2 D:NYQ201 4.1 93.5 1.0
C6 D:NYQ201 4.1 91.8 1.0
CE1 D:TYR39 4.2 58.1 1.0
N D:ILE56 4.3 54.3 1.0
CA D:SER55 4.3 51.8 1.0
C D:SER55 4.3 56.7 1.0
CG D:TYR39 4.4 53.3 1.0
CE2 D:PHE30 4.4 49.7 1.0
CG D:LEU37 4.4 50.8 1.0
C D:LEU37 4.5 51.4 1.0
N D:SER55 4.5 50.8 1.0
CB D:TYR39 4.5 48.0 1.0
O D:GLY54 4.5 51.1 1.0
CB D:ILE56 4.6 58.2 1.0
N D:TYR39 4.6 44.5 1.0
CD2 D:LEU37 4.6 53.9 1.0
C D:GLY54 4.6 52.7 1.0
C3 D:NYQ201 4.6 92.8 1.0
CA D:SER38 4.7 45.3 1.0
C D:SER38 4.8 48.0 1.0
O D:SER55 4.9 56.9 1.0
N D:SER38 4.9 46.2 1.0
CB D:LEU37 5.0 48.0 1.0

Reference:

P.Brear, G.Fischer, M.May, T.Pantelejevs, R.Mathieu, M.Rossmann, J.Wagstaff, B.Blaszczyk, M.Hyvonen. Crystal Structure of 1-Methylindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C To Be Published.
Page generated: Thu Jul 11 02:54:32 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy