Fluorine in PDB 5t6a: Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with 5GA

The structure of Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with 5GA, PDB code: 5t6a was solved by D.Q.Jiang, W.Tempel, P.Loppnau, J.R.Walker, S.Graslund, C.H.Arrowsmith, A.M.Edwards, C.Bountra, R.Hui, D.V.Lovato, K.T.Osman, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.55 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.757, 72.175, 66.142, 90.00, 97.61, 90.00
R / Rfree (%)	20.3 / 24

The structure of Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with 5GA also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with 5GA (pdb code 5t6a). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with 5GA, PDB code: 5t6a:

Fluorine binding site 1 out of 1 in the Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with 5GA


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 TGCDPK1 From Toxoplasma Gondii Complexed with 5GA within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:58.6 occ:1.00 F A:5GA601 0.0 58.6 1.0 C14 A:5GA601 1.4 57.5 1.0 C15 A:5GA601 2.4 56.1 1.0 C13 A:5GA601 2.4 59.9 1.0 O A:LEU126 2.9 50.4 1.0 CL A:5GA601 2.9 65.5 1.0 C A:LEU126 3.2 52.1 1.0 CB A:LEU126 3.3 50.0 1.0 N A:GLY128 3.6 50.2 1.0 C16 A:5GA601 3.6 58.9 1.0 CD1 A:LEU114 3.6 56.2 1.0 C12 A:5GA601 3.6 59.6 1.0 C A:VAL127 3.7 52.5 1.0 N A:VAL127 3.7 47.2 1.0 CA A:LEU126 3.8 49.9 1.0 CE A:MET112 4.0 58.8 1.0 CA A:GLY128 4.0 49.8 1.0 CA A:VAL127 4.1 48.0 1.0 C11 A:5GA601 4.1 61.1 1.0 O A:VAL127 4.2 50.9 1.0 O A:ALA78 4.2 51.3 1.0 CG A:LEU126 4.6 58.0 1.0 SD A:MET112 4.6 60.2 1.0 N A:LYS80 4.8 53.4 1.0 CD2 A:LEU126 4.9 63.8 1.0 CB A:LYS80 4.9 54.9 1.0 CD1 A:LEU126 5.0 59.1 1.0

D.Q.Jiang, W.Tempel, P.Loppnau, J.R.Walker, S.Graslund, C.H.Arrowsmith, A.M.Edwards, C.Bountra, R.Hui, D.V.Lovato, K.T.Osman, Structural Genomics Consortium (Sgc). Crystal Structure of TGCDPK1 From Toxoplasma Gondii Complexed with Sgc-1-9 To Be Published.