Zinc in PDB 6tse: Crystal Structure of 1-Methylindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C

Enzymatic activity of Crystal Structure of 1-Methylindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C

All present enzymatic activity of Crystal Structure of 1-Methylindoline-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 1-Methylindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C, PDB code: 6tse 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) 57.19 / 1.41
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.070, 60.594, 57.846, 90.00, 98.65, 90.00
R / Rfree (%) 20.1 / 22.4

Other elements in 6tse:

The structure of Crystal Structure of 1-Methylindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of 1-Methylindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C (pdb code 6tse). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of 1-Methylindoline-2,3-Dione Covalently Bound to the pH Domain of Bruton'S Tyrosine Kinase Mutant R28C, PDB code: 6tse:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6tse

Go back to Zinc Binding Sites List in 6tse
Zinc binding site 1 out of 2 in the Crystal Structure of 1-Methylindoline-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 Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of 1-Methylindoline-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:Zn205

b:23.3
occ:1.00
 ND1 A:HIS143 2.1 24.4 1.0
SG A:CYS155 2.3 23.7 1.0
SG A:CYS165 2.3 25.0 1.0
SG A:CYS154 2.3 22.1 1.0
CE1 A:HIS143 3.0 22.9 1.0
CG A:HIS143 3.2 22.0 1.0
CB A:CYS155 3.3 21.3 1.0
CB A:CYS165 3.3 22.4 1.0
CB A:CYS154 3.4 20.1 1.0
N A:CYS155 3.6 23.3 1.0
CB A:HIS143 3.6 18.4 1.0
CA A:HIS143 3.9 17.2 1.0
CB A:TYR152 4.0 22.5 1.0
CA A:CYS155 4.1 22.4 1.0
N A:CYS165 4.1 21.9 1.0
C A:CYS154 4.1 27.5 1.0
NE2 A:HIS143 4.2 23.5 1.0
CA A:CYS154 4.2 21.2 1.0
CD2 A:HIS143 4.3 23.5 1.0
CG A:TYR152 4.3 22.6 1.0
CA A:CYS165 4.4 22.5 1.0
CD A:PRO144 4.5 20.7 1.0
N A:CYS154 4.6 22.1 1.0
CD1 A:TYR152 4.8 23.7 1.0
CD2 A:TYR152 4.8 22.6 1.0
C A:HIS143 4.8 20.7 1.0
NE2 A:GLN157 4.8 51.4 1.0
O A:TYR142 4.9 21.2 1.0
N A:HIS143 5.0 17.2 1.0
O A:CYS154 5.0 30.0 1.0

Zinc binding site 2 out of 2 in 6tse

Go back to Zinc Binding Sites List in 6tse
Zinc binding site 2 out of 2 in the Crystal Structure of 1-Methylindoline-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 Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of 1-Methylindoline-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:Zn203

b:20.5
occ:1.00
 ND1 B:HIS143 2.1 20.8 1.0
SG B:CYS155 2.3 22.5 1.0
SG B:CYS165 2.3 23.6 1.0
SG B:CYS154 2.4 20.0 1.0
CE1 B:HIS143 3.0 20.6 1.0
CG B:HIS143 3.2 19.1 1.0
CB B:CYS155 3.3 21.1 1.0
CB B:CYS165 3.4 20.6 1.0
CB B:CYS154 3.4 18.8 1.0
N B:CYS155 3.6 22.6 1.0
CB B:HIS143 3.6 16.1 1.0
CA B:HIS143 3.9 15.7 1.0
CB B:TYR152 4.0 22.9 1.0
N B:CYS165 4.1 22.9 1.0
CA B:CYS155 4.1 21.8 1.0
C B:CYS154 4.1 26.3 1.0
NE2 B:HIS143 4.2 21.4 1.0
CA B:CYS154 4.2 20.1 1.0
CD2 B:HIS143 4.3 21.4 1.0
CG B:TYR152 4.3 22.3 1.0
CA B:CYS165 4.4 21.9 1.0
CD B:PRO144 4.5 18.1 1.0
N B:CYS154 4.6 20.1 1.0
CD1 B:TYR152 4.7 22.8 1.0
CD2 B:TYR152 4.8 21.9 1.0
O B:HOH394 4.8 44.1 1.0
C B:HIS143 4.8 18.1 1.0
O B:TYR142 4.9 18.9 1.0
NE2 B:GLN157 4.9 33.6 1.0
N B:HIS143 4.9 17.4 1.0
O B:CYS154 5.0 28.7 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: Wed Dec 16 12:55:42 2020

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