Chlorine in PDB 5jzn: Crystal Structure of DCLK1-Kd in Complex with Nvp-TAE684

All present enzymatic activity of Crystal Structure of DCLK1-Kd in Complex with Nvp-TAE684:
2.7.11.1;

The structure of Crystal Structure of DCLK1-Kd in Complex with Nvp-TAE684, PDB code: 5jzn was solved by O.Patel, I.Lucet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.18 / 2.85
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	106.360, 106.360, 157.370, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 22.5

The binding sites of Chlorine atom in the Crystal Structure of DCLK1-Kd in Complex with Nvp-TAE684 (pdb code 5jzn). 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 DCLK1-Kd in Complex with Nvp-TAE684, PDB code: 5jzn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of DCLK1-Kd in Complex with Nvp-TAE684


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 DCLK1-Kd in Complex with Nvp-TAE684 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:45.8 occ:1.00 CL A:GUI701 0.0 45.8 1.0 C1 A:GUI701 1.8 32.4 1.0 C6 A:GUI701 2.8 31.2 1.0 C2 A:GUI701 2.8 34.9 1.0 N29 A:GUI701 3.1 41.6 1.0 O41 A:GUI701 3.6 55.7 1.0 CB A:MET465 4.0 37.6 1.0 N5 A:GUI701 4.0 37.1 1.0 N3 A:GUI701 4.1 36.7 1.0 CB A:ALA417 4.2 36.2 1.0 SD A:MET465 4.2 62.2 1.0 CG1 A:VAL449 4.2 37.6 1.0 C30 A:GUI701 4.4 44.2 1.0 O A:GLU466 4.4 37.5 1.0 C4 A:GUI701 4.5 39.7 1.0 CD1 A:LEU518 4.6 30.0 1.0 CG A:MET465 4.6 37.3 1.0 CD A:LYS419 4.7 52.8 1.0 C38 A:GUI701 4.7 33.3 1.0 S36 A:GUI701 4.8 54.3 1.0 CE A:MET465 4.9 53.6 1.0 CG1 A:VAL404 4.9 31.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of DCLK1-Kd in Complex with Nvp-TAE684


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 DCLK1-Kd in Complex with Nvp-TAE684 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:50.8 occ:1.00 CL B:GUI701 0.0 50.8 1.0 C1 B:GUI701 1.8 37.0 1.0 C2 B:GUI701 2.8 41.3 1.0 C6 B:GUI701 2.8 31.1 1.0 N29 B:GUI701 3.0 40.1 1.0 O41 B:GUI701 3.4 55.5 1.0 SD B:MET465 4.0 56.1 1.0 N3 B:GUI701 4.0 32.1 1.0 N5 B:GUI701 4.1 30.4 1.0 CB B:MET465 4.1 33.5 1.0 CG1 B:VAL449 4.2 34.1 1.0 CB B:ALA417 4.3 30.9 1.0 C30 B:GUI701 4.3 45.0 1.0 CD1 B:LEU518 4.4 40.7 1.0 O B:GLU466 4.5 36.2 1.0 CE B:MET465 4.5 49.2 1.0 C4 B:GUI701 4.5 33.5 1.0 C38 B:GUI701 4.6 31.7 1.0 S36 B:GUI701 4.6 53.7 1.0 CG B:MET465 4.6 37.5 1.0 C31 B:GUI701 5.0 46.2 1.0

O.Patel, W.Dai, M.Mentzel, M.D.Griffin, J.Serindoux, Y.Gay, S.Fischer, S.Sterle, A.Kropp, C.J.Burns, M.Ernst, M.Buchert, I.S.Lucet. Biochemical and Structural Insights Into Doublecortin-Like Kinase Domain 1. Structure V. 24 1550 2016.
ISSN: ISSN 1878-4186
PubMed: 27545623
DOI: 10.1016/J.STR.2016.07.008