Chlorine in PDB 6fyp: X-Ray Structure of CLK3-Kd(Gp-[275-632], Non-Phos.)/Cx-4945 at 2.29A

All present enzymatic activity of X-Ray Structure of CLK3-Kd(Gp-[275-632], Non-Phos.)/Cx-4945 at 2.29A:
2.7.12.1;

The structure of X-Ray Structure of CLK3-Kd(Gp-[275-632], Non-Phos.)/Cx-4945 at 2.29A, PDB code: 6fyp was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.28 / 2.29
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.197, 61.998, 73.328, 90.00, 97.10, 90.00
R / Rfree (%)	22.8 / 26.7

The binding sites of Chlorine atom in the X-Ray Structure of CLK3-Kd(Gp-[275-632], Non-Phos.)/Cx-4945 at 2.29A (pdb code 6fyp). 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 CLK3-Kd(Gp-[275-632], Non-Phos.)/Cx-4945 at 2.29A, PDB code: 6fyp:

Chlorine binding site 1 out of 1 in the X-Ray Structure of CLK3-Kd(Gp-[275-632], Non-Phos.)/Cx-4945 at 2.29A


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 CLK3-Kd(Gp-[275-632], Non-Phos.)/Cx-4945 at 2.29A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:48.6 occ:1.00 CL22 A:3NG501 0.0 48.6 1.0 C18 A:3NG501 1.8 46.0 1.0 C17 A:3NG501 2.7 43.4 1.0 C19 A:3NG501 2.8 45.2 1.0 CZ A:PHE167 3.5 63.1 1.0 O A:GLU164 3.5 59.6 1.0 N A:GLU164 3.6 57.1 1.0 C A:GLU164 3.6 59.2 1.0 C A:GLY163 3.7 55.9 1.0 CG2 A:VAL170 3.8 50.1 1.0 CA A:GLU164 3.9 58.6 1.0 CE2 A:PHE167 3.9 63.2 1.0 C16 A:3NG501 4.0 42.3 1.0 C20 A:3NG501 4.1 43.8 1.0 O A:GLY163 4.1 56.4 1.0 CA A:GLY163 4.2 54.5 1.0 N A:GLY165 4.3 60.0 1.0 CB A:VAL170 4.4 50.8 1.0 C21 A:3NG501 4.6 43.5 1.0 CE1 A:PHE167 4.6 63.3 1.0 CA A:GLY165 4.8 60.8 1.0 N A:VAL170 4.8 52.6 1.0 N A:GLY163 5.0 52.9 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