Magnesium in PDB 6yyf: Crystal Structure of 5-Chloroindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C

Enzymatic activity of Crystal Structure of 5-Chloroindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C

All present enzymatic activity of Crystal Structure of 5-Chloroindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of 5-Chloroindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C, PDB code: 6yyf 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) 36.74 / 1.93
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.9, 60.29, 57.4, 90, 98.93, 90
R / Rfree (%) 19 / 24.9

Other elements in 6yyf:

The structure of Crystal Structure of 5-Chloroindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Zinc (Zn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of 5-Chloroindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C (pdb code 6yyf). 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-Chloroindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C, PDB code: 6yyf:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6yyf

Go back to Magnesium Binding Sites List in 6yyf
Magnesium binding site 1 out of 2 in the Crystal Structure of 5-Chloroindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C


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-Chloroindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg203

b:65.8
occ:1.00
 O A:HOH342 3.1 62.6 1.0
O A:GLY47 3.8 38.8 1.0
OE2 A:GLU7 3.9 48.3 1.0
CA A:ARG48 4.4 46.2 1.0
C A:GLY47 4.7 41.5 1.0
CD A:GLU7 4.9 47.4 1.0
OE1 A:GLU7 4.9 58.6 1.0
O A:HOH338 5.0 56.1 1.0
N A:ARG49 5.0 42.1 1.0
N A:ARG48 5.0 40.8 1.0

Magnesium binding site 2 out of 2 in 6yyf

Go back to Magnesium Binding Sites List in 6yyf
Magnesium binding site 2 out of 2 in the Crystal Structure of 5-Chloroindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C


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-Chloroindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg203

b:36.3
occ:1.00
 O B:HOH303 1.9 32.1 1.0
O B:HOH314 2.1 34.8 1.0
O B:HOH334 3.9 42.3 1.0
OE2 B:GLU7 4.1 35.8 1.0
OE1 B:GLU7 4.2 37.8 1.0
O B:GLY47 4.2 37.8 1.0
CD B:GLU7 4.6 39.8 1.0

Reference:

P.Brear, G.Fischer, M.May, T.Pantelejevs, R.Mathieu, M.Rossmann, J.Wagstaff, B.Blaszczyk, M.Hyvonen. Optimising Crystallographic Systems For Structure-Guided Drug Discovery To Be Published.
Page generated: Sun Jul 11 15:04:10 2021

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