Chlorine in PDB 6fyv: X-Ray Structure of CLK4-Kd(146-480)/Cx-4945 at 2.46A

All present enzymatic activity of X-Ray Structure of CLK4-Kd(146-480)/Cx-4945 at 2.46A:
2.7.12.1;

The structure of X-Ray Structure of CLK4-Kd(146-480)/Cx-4945 at 2.46A, PDB code: 6fyv was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.36 / 2.46
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.335, 66.335, 190.684, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 22.3

The binding sites of Chlorine atom in the X-Ray Structure of CLK4-Kd(146-480)/Cx-4945 at 2.46A (pdb code 6fyv). 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 X-Ray Structure of CLK4-Kd(146-480)/Cx-4945 at 2.46A, PDB code: 6fyv:

Chlorine binding site 1 out of 1 in the X-Ray Structure of CLK4-Kd(146-480)/Cx-4945 at 2.46A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of CLK4-Kd(146-480)/Cx-4945 at 2.46A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:64.8 occ:1.00 CL22 A:3NG501 0.0 64.8 1.0 C18 A:3NG501 1.8 58.3 1.0 C17 A:3NG501 2.7 56.0 1.0 C19 A:3NG501 2.7 56.8 1.0 CZ A:PHE172 3.4 83.5 1.0 O A:GLU169 3.5 82.3 1.0 C A:GLY168 3.5 82.0 1.0 N A:GLU169 3.5 84.7 1.0 C A:GLU169 3.6 83.0 1.0 CE1 A:PHE172 3.7 85.8 1.0 O A:GLY168 3.7 84.5 1.0 CA A:GLU169 3.8 85.0 1.0 CG2 A:VAL175 3.9 56.2 1.0 C20 A:3NG501 4.0 57.0 1.0 C16 A:3NG501 4.0 54.3 1.0 CA A:GLY168 4.0 78.6 1.0 O A:HOH679 4.3 75.6 1.0 N A:GLY170 4.3 81.7 1.0 CB A:VAL175 4.4 59.5 1.0 N A:VAL175 4.5 65.7 1.0 C21 A:3NG501 4.5 56.3 1.0 CE2 A:PHE172 4.6 82.5 1.0 O A:HOH628 4.7 56.6 1.0 CA A:GLY170 5.0 79.2 1.0 N A:GLY168 5.0 77.3 1.0

J.Kallen, C.Bergsdorf, B.Arnaud, M.Bernhard, M.Brichet, A.Cobos-Correa, A.Elhajouji, F.Freuler, I.Galimberti, C.Guibourdenche, S.Haenni, S.Holzinger, J.Hunziker, A.Izaac, M.Kaufmann, L.Leder, H.J.Martus, P.Von Matt, V.Polyakov, P.Roethlisberger, G.Roma, N.Stiefl, M.Uteng, A.Lerchner. X-Ray Structures and Feasibility Assessment of CLK2 Inhibitors For Phelan-Mcdermid Syndrome. Chemmedchem V. 13 1997 2018.
ISSN: ESSN 1860-7187
PubMed: 29985556
DOI: 10.1002/CMDC.201800344