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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

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