Chlorine in PDB 5aux: Crystal Structure of DAPK1 in Complex with Kaempferol.

All present enzymatic activity of Crystal Structure of DAPK1 in Complex with Kaempferol.:
2.7.11.1;

The structure of Crystal Structure of DAPK1 in Complex with Kaempferol., PDB code: 5aux was solved by T.Yokoyama, M.Mizuguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.40 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.823, 62.193, 88.440, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 20.8

The binding sites of Chlorine atom in the Crystal Structure of DAPK1 in Complex with Kaempferol. (pdb code 5aux). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of DAPK1 in Complex with Kaempferol., PDB code: 5aux:

Chlorine binding site 1 out of 1 in the Crystal Structure of DAPK1 in Complex with Kaempferol.


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 DAPK1 in Complex with Kaempferol. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:22.2 occ:1.00 N A:ASP161 3.2 16.5 1.0 O A:HOH560 3.2 20.5 1.0 NZ A:LYS42 3.3 23.2 1.0 CA A:ASP161 3.5 16.8 1.0 C5 A:KMP400 3.7 28.2 1.0 CD1 A:LEU93 3.7 20.7 1.0 CD A:LYS42 3.8 22.8 1.0 O12 A:KMP400 3.8 28.8 1.0 C19 A:KMP400 4.0 22.6 1.0 CE A:LYS42 4.0 27.7 1.0 CB A:ILE160 4.1 15.3 1.0 C4 A:KMP400 4.3 29.2 1.0 CB A:ASP161 4.3 16.6 1.0 C A:ILE160 4.4 17.5 1.0 CD1 A:ILE160 4.6 18.6 1.0 C18 A:KMP400 4.6 24.5 1.0 CA A:ILE160 4.6 18.9 1.0 OE2 A:GLU64 4.7 20.9 1.0 C A:ASP161 4.7 18.9 1.0 N A:PHE162 4.7 17.0 1.0 CG1 A:ILE160 4.8 19.8 1.0 C6 A:KMP400 4.8 31.4 1.0 CG A:ASP161 4.9 24.1 1.0 O29 A:KMP400 4.9 33.3 1.0 C11 A:KMP400 4.9 23.2 1.0 OD1 A:ASP161 5.0 22.6 1.0 C14 A:KMP400 5.0 26.2 1.0 CG2 A:ILE160 5.0 16.4 1.0

T.Yokoyama, Y.Kosaka, M.Mizuguchi. Structural Insight Into the Interactions Between Death-Associated Protein Kinase 1 and Natural Flavonoids. J.Med.Chem. V. 58 7400 2015.
ISSN: ISSN 0022-2623
PubMed: 26322379
DOI: 10.1021/ACS.JMEDCHEM.5B00893