Zinc in PDB 6tuh: The pH Domain of Bruton'S Tyrosine Kinase Mutant R28C

All present enzymatic activity of The pH Domain of Bruton'S Tyrosine Kinase Mutant R28C:
2.7.10.2;

The structure of The pH Domain of Bruton'S Tyrosine Kinase Mutant R28C, PDB code: 6tuh 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)	66.72 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.759, 66.606, 80.267, 90.00, 100.06, 90.00
R / Rfree (%)	23.6 / 27.6

The structure of The pH Domain of Bruton'S Tyrosine Kinase Mutant R28C also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Zinc atom in the The pH Domain of Bruton'S Tyrosine Kinase Mutant R28C (pdb code 6tuh). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the The pH Domain of Bruton'S Tyrosine Kinase Mutant R28C, PDB code: 6tuh:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the 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 The pH Domain of Bruton'S Tyrosine Kinase Mutant R28C within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn204 b:54.9 occ:1.00 SG A:CYS165 2.2 59.8 1.0 ND1 A:HIS143 2.3 53.2 1.0 SG A:CYS154 2.4 58.1 1.0 SG A:CYS155 2.6 66.0 1.0 CB A:CYS155 3.1 62.8 1.0 CG A:HIS143 3.3 51.4 1.0 CE1 A:HIS143 3.3 53.0 1.0 CB A:CYS165 3.4 56.9 1.0 CB A:CYS154 3.4 55.4 1.0 N A:CYS155 3.5 62.6 1.0 CB A:HIS143 3.5 46.8 1.0 CA A:HIS143 3.8 45.6 1.0 CA A:CYS155 3.9 62.8 1.0 C A:CYS154 4.1 64.1 1.0 CB A:TYR152 4.1 59.5 1.0 N A:CYS165 4.2 57.5 1.0 CA A:CYS154 4.2 57.0 1.0 NE2 A:HIS143 4.4 53.0 1.0 CD2 A:HIS143 4.4 53.3 1.0 CA A:CYS165 4.4 57.2 1.0 CG A:TYR152 4.5 60.4 1.0 CD A:PRO144 4.5 47.4 1.0 N A:CYS154 4.6 57.9 1.0 C A:HIS143 4.7 48.2 1.0 CD1 A:TYR152 4.8 62.1 1.0 N A:HIS143 4.9 45.5 1.0 O A:CYS154 4.9 65.2 1.0 O A:TYR142 4.9 44.4 1.0 N A:PRO144 4.9 46.3 1.0

Zinc binding site 2 out of 4 in the 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 The pH Domain of Bruton'S Tyrosine Kinase Mutant R28C within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn202 b:56.9 occ:1.00 ND1 B:HIS143 2.0 50.7 1.0 SG B:CYS165 2.2 64.2 1.0 SG B:CYS155 2.5 65.3 1.0 SG B:CYS154 2.6 61.0 1.0 CG B:HIS143 2.9 50.1 1.0 CE1 B:HIS143 3.0 50.7 1.0 CB B:CYS155 3.2 61.8 1.0 CB B:CYS165 3.2 61.9 1.0 CB B:HIS143 3.3 47.9 1.0 CA B:HIS143 3.6 49.2 1.0 CB B:CYS154 3.7 58.3 1.0 N B:CYS155 3.8 63.5 1.0 N B:CYS165 3.9 63.6 1.0 CD2 B:HIS143 4.1 51.6 1.0 NE2 B:HIS143 4.1 51.0 1.0 CA B:CYS155 4.1 63.2 1.0 CB B:TYR152 4.1 50.5 1.0 CA B:CYS165 4.2 63.0 1.0 CG B:TYR152 4.3 48.8 1.0 C B:CYS154 4.4 66.2 1.0 CA B:CYS154 4.5 60.2 1.0 CD B:PRO144 4.5 56.4 1.0 CD1 B:TYR152 4.6 49.3 1.0 N B:HIS143 4.7 51.4 1.0 C B:HIS143 4.7 57.6 1.0 CD2 B:TYR152 4.8 48.2 1.0 O B:TYR142 4.8 56.5 1.0 N B:CYS154 4.9 62.2 1.0 N B:PRO144 4.9 54.5 1.0 C B:GLY164 5.0 68.5 1.0

Zinc binding site 3 out of 4 in the 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 3 of The pH Domain of Bruton'S Tyrosine Kinase Mutant R28C within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn202 b:0.8 occ:1.00 ND1 C:HIS143 1.9 88.0 1.0 SG C:CYS165 2.2 0.5 1.0 SG C:CYS155 2.5 0.0 1.0 SG C:CYS154 2.5 0.6 1.0 CB C:TYR152 2.7 97.1 1.0 CG C:HIS143 2.8 86.5 1.0 CE1 C:HIS143 3.0 87.1 1.0 CG C:TYR152 3.0 97.3 1.0 CB C:HIS143 3.1 83.6 1.0 CD1 C:TYR152 3.4 98.8 1.0 CD2 C:TYR152 3.7 97.5 1.0 N C:CYS155 3.8 99.0 1.0 CB C:CYS165 3.9 97.0 1.0 CD2 C:HIS143 3.9 87.8 1.0 CA C:HIS143 3.9 83.2 1.0 NE2 C:HIS143 4.0 87.4 1.0 CB C:CYS155 4.1 98.6 1.0 CB C:CYS154 4.1 97.9 1.0 CA C:TYR152 4.2 97.1 1.0 N C:CYS154 4.4 97.7 1.0 CE1 C:TYR152 4.4 98.8 1.0 N C:CYS165 4.4 95.9 1.0 CA C:CYS155 4.4 98.8 1.0 C C:TYR152 4.5 99.7 1.0 CA C:CYS154 4.5 97.7 1.0 CE2 C:TYR152 4.6 98.1 1.0 C C:CYS154 4.6 0.3 1.0 CA C:CYS165 4.6 96.2 1.0 C C:HIS143 4.9 87.7 1.0 CZ C:TYR152 4.9 0.3 1.0 O C:TYR152 4.9 99.1 1.0

Zinc binding site 4 out of 4 in the 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 4 of The pH Domain of Bruton'S Tyrosine Kinase Mutant R28C within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn202 b:83.8 occ:1.00 ND1 D:HIS143 2.2 87.8 1.0 SG D:CYS165 2.3 89.8 1.0 SG D:CYS154 2.5 95.1 1.0 SG D:CYS155 2.6 96.6 1.0 CB D:CYS155 3.1 92.9 1.0 CG D:HIS143 3.1 85.4 1.0 CE1 D:HIS143 3.2 87.5 1.0 CB D:CYS165 3.3 86.5 1.0 CB D:HIS143 3.4 80.9 1.0 CB D:CYS154 3.6 91.2 1.0 N D:CYS155 3.6 92.1 1.0 CA D:HIS143 3.6 79.1 1.0 N D:CYS165 4.0 87.8 1.0 CA D:CYS155 4.0 92.5 1.0 C D:CYS154 4.1 94.9 1.0 CB D:TYR152 4.2 91.6 1.0 CA D:CYS165 4.3 86.8 1.0 CD2 D:HIS143 4.3 88.1 1.0 NE2 D:HIS143 4.3 88.0 1.0 CA D:CYS154 4.4 91.0 1.0 CD D:PRO144 4.4 76.1 1.0 CG D:TYR152 4.5 92.5 1.0 C D:HIS143 4.7 81.3 1.0 N D:HIS143 4.7 79.0 1.0 O D:TYR142 4.8 80.5 1.0 N D:CYS154 4.8 91.3 1.0 CD1 D:TYR152 4.8 94.0 1.0 N D:PRO144 4.9 75.5 1.0 O D:CYS154 4.9 94.3 1.0 C D:GLY164 5.0 92.3 1.0

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.