Zinc in PDB 1bwn: pH Domain and Btk Motif From Bruton'S Tyrosine Kinase Mutant E41K in Complex with Ins(1,3,4,5)P4

All present enzymatic activity of pH Domain and Btk Motif From Bruton'S Tyrosine Kinase Mutant E41K in Complex with Ins(1,3,4,5)P4:
2.7.1.112;

The structure of pH Domain and Btk Motif From Bruton'S Tyrosine Kinase Mutant E41K in Complex with Ins(1,3,4,5)P4, PDB code: 1bwn was solved by K.Djinovic Carugo, E.Baraldi, M.Hyvoenen, P.Lo Surdo, A.Riley, B.Potter, M.Saraste, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 2.10
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	110.784, 110.784, 215.600, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Zinc atom in the pH Domain and Btk Motif From Bruton'S Tyrosine Kinase Mutant E41K in Complex with Ins(1,3,4,5)P4 (pdb code 1bwn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the pH Domain and Btk Motif From Bruton'S Tyrosine Kinase Mutant E41K in Complex with Ins(1,3,4,5)P4, PDB code: 1bwn:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the pH Domain and Btk Motif From Bruton'S Tyrosine Kinase Mutant E41K in Complex with Ins(1,3,4,5)P4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of pH Domain and Btk Motif From Bruton'S Tyrosine Kinase Mutant E41K in Complex with Ins(1,3,4,5)P4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn171 b:27.0 occ:1.00 ND1 A:HIS143 2.1 22.8 1.0 SG A:CYS165 2.2 30.1 1.0 SG A:CYS155 2.3 30.5 1.0 SG A:CYS154 2.4 27.7 1.0 CE1 A:HIS143 2.9 29.0 1.0 CB A:CYS165 3.2 27.9 1.0 CG A:HIS143 3.2 23.4 1.0 CB A:CYS155 3.3 28.0 1.0 CB A:CYS154 3.4 23.0 1.0 CB A:HIS143 3.6 16.2 1.0 N A:CYS155 3.6 30.6 1.0 CA A:HIS143 3.8 16.4 1.0 N A:CYS165 3.9 27.0 1.0 CB A:TYR152 4.0 21.4 1.0 NE2 A:HIS143 4.1 28.5 1.0 CA A:CYS155 4.1 27.9 1.0 C A:CYS154 4.1 28.6 1.0 CA A:CYS165 4.1 27.1 1.0 CA A:CYS154 4.2 25.1 1.0 CD2 A:HIS143 4.2 24.4 1.0 CG A:TYR152 4.4 23.1 1.0 CD A:PRO144 4.5 21.4 1.0 N A:CYS154 4.6 30.9 1.0 O A:TYR142 4.7 26.4 1.0 NE2 A:GLN157 4.7 36.4 1.0 N A:HIS143 4.8 23.8 1.0 CD1 A:TYR152 4.8 22.1 1.0 C A:HIS143 4.9 25.5 1.0 C A:GLY164 4.9 26.2 1.0 O A:CYS154 4.9 31.0 1.0 CD2 A:TYR152 4.9 25.1 1.0

Zinc binding site 2 out of 2 in the pH Domain and Btk Motif From Bruton'S Tyrosine Kinase Mutant E41K in Complex with Ins(1,3,4,5)P4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of pH Domain and Btk Motif From Bruton'S Tyrosine Kinase Mutant E41K in Complex with Ins(1,3,4,5)P4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn171 b:58.6 occ:1.00 ND1 B:HIS143 2.0 51.6 1.0 SG B:CYS155 2.3 60.0 1.0 SG B:CYS154 2.3 60.0 1.0 SG B:CYS165 2.4 60.0 1.0 N B:CYS155 2.8 54.6 1.0 CB B:CYS155 2.8 56.1 1.0 CE1 B:HIS143 2.9 52.1 1.0 CB B:CYS165 3.0 58.1 1.0 CG B:HIS143 3.0 52.9 1.0 CB B:CYS154 3.3 55.8 1.0 CB B:HIS143 3.4 49.7 1.0 CA B:CYS155 3.4 55.1 1.0 C B:CYS154 3.7 60.0 1.0 N B:CYS165 3.9 57.4 1.0 CA B:HIS143 3.9 43.6 1.0 CA B:CYS154 3.9 56.6 1.0 NE2 B:HIS143 4.0 49.3 1.0 CA B:CYS165 4.0 55.1 1.0 CD2 B:HIS143 4.1 44.6 1.0 CB B:TYR152 4.1 57.0 1.0 O B:TYR152 4.2 60.0 1.0 N B:CYS154 4.3 55.3 1.0 CG B:TYR152 4.5 54.8 1.0 C B:CYS155 4.6 60.0 1.0 NE2 B:GLN157 4.7 60.0 1.0 O B:CYS154 4.8 60.0 1.0 N B:HIS143 4.8 40.8 1.0 C B:CYS165 4.8 54.1 1.0 O B:TYR142 4.8 58.0 1.0 CD1 B:TYR152 4.9 55.3 1.0 C B:HIS143 4.9 53.0 1.0 N B:SER156 5.0 56.3 1.0

E.Baraldi, K.D.Carugo, M.Hyvonen, P.L.Surdo, A.M.Riley, B.V.Potter, R.O'brien, J.E.Ladbury, M.Saraste. Structure of the pH Domain From Bruton'S Tyrosine Kinase in Complex with Inositol 1,3,4,5-Tetrakisphosphate. Structure Fold.Des. V. 7 449 1999.
ISSN: ISSN 0969-2126
PubMed: 10196129
DOI: 10.1016/S0969-2126(99)80057-4