Fluorine in PDB 6rch: Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor

All present enzymatic activity of Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor:
2.7.11.1; 2.7.11.26;

The structure of Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor, PDB code: 6rch was solved by A.Chaikuad, C.H.Arrowsmith, A.M.Edwards, C.Bountra, W.R.Roush, 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)	86.62 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.106, 74.072, 88.967, 90.00, 103.18, 90.00
R / Rfree (%)	15.5 / 17.8

The structure of Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor (pdb code 6rch). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor, PDB code: 6rch:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F310 b:34.0 occ:1.00 F1 A:K0B310 0.0 34.0 1.0 C3 A:K0B310 1.3 31.8 1.0 C4 A:K0B310 2.3 33.1 1.0 C2 A:K0B310 2.4 27.7 1.0 O A:HOH775 2.7 37.5 1.0 F A:K0B310 2.7 38.7 1.0 N A:K0B310 3.0 25.6 1.0 O A:HOH411 3.5 24.9 1.0 C7 A:K0B310 3.6 27.6 1.0 CG2 A:ILE15 3.6 16.5 1.0 C5 A:K0B310 3.6 33.3 1.0 CD1 A:LEU25 3.6 19.3 1.0 NH1 A:ARG13 3.7 39.5 1.0 NH2 A:ARG13 3.7 43.8 1.0 CZ A:ARG13 4.0 40.2 1.0 C6 A:K0B310 4.1 30.7 1.0 CG A:LEU25 4.2 17.7 1.0 C1 A:K0B310 4.3 22.4 1.0 CD2 A:LEU25 4.3 18.2 1.0 CB A:ILE15 4.5 15.6 1.0 N1 A:K0B310 4.6 24.6 1.0 CD1 A:ILE15 4.7 15.1 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F310 b:38.7 occ:1.00 F A:K0B310 0.0 38.7 1.0 C4 A:K0B310 1.4 33.1 1.0 NH2 A:ARG13 2.3 43.8 1.0 C3 A:K0B310 2.4 31.8 1.0 C5 A:K0B310 2.4 33.3 1.0 F1 A:K0B310 2.7 34.0 1.0 CZ A:ARG13 3.2 40.2 1.0 CG2 A:ILE15 3.5 16.5 1.0 C6 A:K0B310 3.6 30.7 1.0 C2 A:K0B310 3.6 27.7 1.0 NH1 A:ARG13 3.8 39.5 1.0 NE A:ARG13 4.0 38.6 1.0 C7 A:K0B310 4.1 27.6 1.0 CB A:ILE15 4.1 15.6 1.0 CA A:ILE15 4.7 15.7 1.0 N A:K0B310 4.9 25.6 1.0

A.Chaikuad, C.H.Arrowsmith, A.M.Edwards, C.Bountra, W.R.Roush, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of Casein Kinase I Isoform Delta (CK1 Delta) Complexed with SR4133 Inhibitor To Be Published.