Nickel in PDB 6pdj: Tyrosine-Protein Kinase Lck Bound to Compound 11

All present enzymatic activity of Tyrosine-Protein Kinase Lck Bound to Compound 11:
2.7.10.2;

The structure of Tyrosine-Protein Kinase Lck Bound to Compound 11, PDB code: 6pdj was solved by D.A.Critton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.13 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.016, 74.163, 104.527, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 21.7

The binding sites of Nickel atom in the Tyrosine-Protein Kinase Lck Bound to Compound 11 (pdb code 6pdj). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Tyrosine-Protein Kinase Lck Bound to Compound 11, PDB code: 6pdj:

Nickel binding site 1 out of 1 in the Tyrosine-Protein Kinase Lck Bound to Compound 11


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Tyrosine-Protein Kinase Lck Bound to Compound 11 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni605 b:31.8 occ:1.00 N A:GLY222 2.1 34.7 1.0 ND1 A:HIS223 2.1 41.4 1.0 N A:HIS223 2.2 36.9 1.0 O A:HOH862 2.4 28.9 1.0 CA A:GLY222 2.9 35.3 1.0 C A:GLY222 2.9 40.9 1.0 CG A:HIS223 3.1 39.9 1.0 CE1 A:HIS223 3.1 40.3 1.0 CA A:HIS223 3.3 36.8 1.0 CB A:HIS223 3.4 36.8 1.0 N A:MET224 4.0 40.8 1.0 O A:GLY222 4.1 42.3 1.0 C A:HIS223 4.1 42.5 1.0 NE2 A:HIS223 4.2 40.8 1.0 CD2 A:HIS223 4.2 41.3 1.0

D.P.O'malley, V.Ahuja, B.Fink, C.Cao, C.Wang, J.Swanson, S.Wee, A.V.Gavai, J.Tokarski, D.Critton, A.A.Paiva, B.M.Johnson, N.Szapiel, D.Xie. Discovery of Pyridazinone and Pyrazolo[1,5-A]Pyridine Inhibitors of C-Terminal Src Kinase. Acs Med.Chem.Lett. V. 10 1486 2019.
ISSN: ISSN 1948-5875
PubMed: 31620238
DOI: 10.1021/ACSMEDCHEMLETT.9B00354