Magnesium 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:

Bromine (Br) 4 atoms
Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium 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 Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6tvn

Go back to Magnesium Binding Sites List in 6tvn
Magnesium binding site 1 out of 2 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 Magnesium with other atoms in the Mg 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:Mg203

b:49.2
occ:1.00
O B:HOH312 2.1 30.0 1.0
O B:HOH301 2.2 28.3 1.0
OE2 A:GLU96 2.2 28.7 1.0
O B:HOH302 2.2 27.6 1.0
O B:HOH303 2.9 28.5 1.0
CD A:GLU96 3.3 42.3 1.0
OE1 A:GLU96 3.8 28.1 1.0
O B:GLY47 4.3 35.8 1.0
OE1 B:GLU7 4.5 46.1 1.0
O B:HOH310 4.5 31.4 1.0
CG2 A:ILE92 4.5 29.7 1.0
CG A:GLU96 4.6 33.6 1.0
OE2 B:GLU7 4.6 44.1 1.0
O A:HOH313 4.7 37.3 1.0
CB A:GLU96 4.8 28.7 1.0
CD B:GLU7 5.0 52.4 1.0

Magnesium binding site 2 out of 2 in 6tvn

Go back to Magnesium Binding Sites List in 6tvn
Magnesium binding site 2 out of 2 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 Magnesium with other atoms in the Mg 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
D:Mg203

b:55.8
occ:1.00
O D:HOH301 2.3 50.2 1.0
OE1 D:GLU96 2.4 49.9 1.0
CD D:GLU96 3.4 51.6 1.0
OE2 D:GLU96 3.8 31.7 1.0
CG2 D:ILE92 4.7 41.8 1.0
CG D:GLU96 4.8 44.7 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: Mon Jan 25 15:15:56 2021

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