Chlorine in PDB 3k2l: Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2)

All present enzymatic activity of Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2):
2.7.12.1;

The structure of Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2), PDB code: 3k2l was solved by P.Filippakopoulos, V.Myrianthopoulos, M.Soundararajan, T.Krojer, E.Hapka, O.Fedorov, G.Berridge, J.Wang, L.Shrestha, A.C.W.Pike, E.Ugochukwu, F.Vondelft, C.H.Arrowsmith, A.Edwards, J.Weigelt, C.Bountra, E.Mikros, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.54 / 2.36
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.285, 84.285, 148.505, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 28.8

The structure of Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) (pdb code 3k2l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2), PDB code: 3k2l:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl481 b:61.3 occ:1.00 N A:HIS174 3.5 35.5 1.0 CB A:GLN173 3.8 39.2 1.0 CA A:GLN173 3.9 38.1 1.0 ND1 A:HIS174 4.0 31.0 1.0 C A:GLN173 4.2 34.0 1.0 CB A:HIS174 4.3 30.8 1.0 CA A:HIS174 4.5 33.4 1.0 CG A:HIS174 4.6 31.6 1.0 O A:HIS174 4.9 41.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Dual-Specificity Tyrosine Phosphorylation Regulated Kinase 2 (DYRK2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl482 b:79.2 occ:1.00 NZ A:LYS413 3.1 63.9 1.0 NH1 A:ARG411 3.8 69.2 1.0 CE A:LYS413 4.2 63.7 1.0 CD A:LYS413 4.2 53.6 1.0 CZ A:ARG411 5.0 62.1 1.0

M.Soundararajan, A.K.Roos, P.Savitsky, P.Filippakopoulos, A.N.Kettenbach, J.V.Olsen, S.A.Gerber, J.Eswaran, S.Knapp, J.M.Elkins. Structures of Down Syndrome Kinases, Dyrks, Reveal Mechanisms of Kinase Activation and Substrate Recognition. Structure V. 21 986 2013.
ISSN: ISSN 0969-2126
PubMed: 23665168
DOI: 10.1016/J.STR.2013.03.012