Zinc 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
Magnesium (Mg) 2 atoms

Zinc Binding Sites:

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

Zinc binding site 1 out of 2 in 6yyf

Go back to Zinc Binding Sites List in 6yyf
Zinc 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 Zinc with other atoms in the Zn 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:Zn202

b:42.3
occ:1.00
 ND1 A:HIS143 2.3 36.7 1.0
SG A:CYS165 2.5 44.3 1.0
SG A:CYS154 2.5 40.6 1.0
CE1 A:HIS143 2.6 39.6 1.0
SG A:CYS155 2.8 46.3 1.0
CB A:CYS165 3.1 45.7 1.0
CB A:CYS155 3.2 45.8 1.0
CG A:HIS143 3.4 37.7 1.0
CB A:CYS154 3.4 39.8 1.0
N A:CYS155 3.5 41.4 1.0
NE2 A:HIS143 3.8 35.6 1.0
N A:CYS165 3.8 43.9 1.0
CB A:TYR152 4.0 45.6 1.0
CA A:CYS155 4.0 47.3 1.0
C A:CYS154 4.0 43.0 1.0
CB A:HIS143 4.1 35.3 1.0
CA A:CYS165 4.1 43.5 1.0
CD2 A:HIS143 4.2 38.4 1.0
CA A:CYS154 4.2 42.6 1.0
CA A:HIS143 4.3 37.4 1.0
CG A:TYR152 4.3 44.1 1.0
CD A:PRO144 4.6 38.6 1.0
CD1 A:TYR152 4.7 43.0 1.0
N A:CYS154 4.7 40.3 1.0
O A:CYS154 4.9 47.2 1.0
CD2 A:TYR152 4.9 44.0 1.0
C A:GLY164 5.0 42.6 1.0

Zinc binding site 2 out of 2 in 6yyf

Go back to Zinc Binding Sites List in 6yyf
Zinc 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 Zinc with other atoms in the Zn 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:Zn202

b:43.7
occ:1.00
 ND1 B:HIS143 2.3 38.9 1.0
SG B:CYS155 2.5 44.5 1.0
SG B:CYS165 2.5 49.9 1.0
SG B:CYS154 2.5 41.5 1.0
CE1 B:HIS143 3.2 46.1 1.0
CG B:HIS143 3.2 43.1 1.0
CB B:CYS165 3.4 48.4 1.0
CB B:CYS155 3.4 45.8 1.0
CB B:HIS143 3.5 39.2 1.0
CB B:CYS154 3.5 44.6 1.0
N B:CYS155 3.6 50.0 1.0
CA B:HIS143 3.8 36.4 1.0
N B:CYS165 3.9 53.3 1.0
CB B:TYR152 4.1 40.4 1.0
CA B:CYS155 4.2 48.1 1.0
C B:CYS154 4.2 45.0 1.0
CA B:CYS165 4.2 52.8 1.0
CD B:PRO144 4.3 45.0 1.0
NE2 B:HIS143 4.3 44.0 1.0
CD2 B:HIS143 4.4 44.0 1.0
CA B:CYS154 4.4 43.4 1.0
CG B:TYR152 4.4 39.2 1.0
C B:HIS143 4.7 36.4 1.0
N B:HIS143 4.8 38.5 1.0
CD1 B:TYR152 4.8 37.9 1.0
N B:CYS154 4.9 42.8 1.0
O B:TYR142 4.9 38.2 1.0
N B:PRO144 4.9 39.2 1.0
CD2 B:TYR152 4.9 37.3 1.0
C B:GLY164 5.0 51.8 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: Mon Jul 12 16:45:25 2021

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