Fluorine in PDB 6vxr: Structure of Maternal Embryonic Leucine Zipper Kinase Bound to LDSM276

All present enzymatic activity of Structure of Maternal Embryonic Leucine Zipper Kinase Bound to LDSM276:
2.7.10.2; 2.7.11.1;

The structure of Structure of Maternal Embryonic Leucine Zipper Kinase Bound to LDSM276, PDB code: 6vxr was solved by R.M.Counago, J.E.Takarada, C.V.Dos Reis, F.H.Gama, H.Azevedo, A.Mascarello, C.R.Guimaraes, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.124, 70.159, 102.067, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 24.8

The binding sites of Fluorine atom in the Structure of Maternal Embryonic Leucine Zipper Kinase Bound to LDSM276 (pdb code 6vxr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of Maternal Embryonic Leucine Zipper Kinase Bound to LDSM276, PDB code: 6vxr:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of Maternal Embryonic Leucine Zipper Kinase Bound to LDSM276


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Maternal Embryonic Leucine Zipper Kinase Bound to LDSM276 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:43.1 occ:1.00 F1 A:F7D401 0.0 43.1 1.0 C18 A:F7D401 1.3 42.9 1.0 C19 A:F7D401 2.3 43.1 1.0 C17 A:F7D401 2.3 43.9 1.0 O2 A:F7D401 2.7 48.8 1.0 O A:HOH509 3.1 50.5 1.0 CB A:CYS70 3.3 47.0 1.0 CG2 A:ILE149 3.5 45.7 1.0 C16 A:F7D401 3.6 45.6 1.0 CB A:LEU86 3.6 39.3 1.0 CD2 A:LEU86 3.6 39.2 1.0 C14 A:F7D401 3.6 43.0 1.0 O A:HOH539 3.6 42.8 1.0 CB A:ILE149 3.8 44.6 1.0 CD1 A:LEU86 3.8 40.5 1.0 CG A:LEU86 3.8 39.7 1.0 SG A:CYS70 3.9 54.6 1.0 C15 A:F7D401 4.1 44.0 1.0 CA A:ILE149 4.5 45.3 1.0 F2 A:F7D401 4.7 48.6 1.0 CA A:CYS70 4.7 44.0 1.0 N5 A:F7D401 4.8 42.9 1.0 O A:GLU87 4.9 40.3 1.0 O A:CYS70 4.9 39.8 1.0 N A:GLU87 4.9 41.7 1.0 CA A:LEU86 4.9 38.7 1.0 N A:ASP150 4.9 53.6 1.0 C A:CYS70 5.0 42.5 1.0

Fluorine binding site 2 out of 2 in the Structure of Maternal Embryonic Leucine Zipper Kinase Bound to LDSM276


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Maternal Embryonic Leucine Zipper Kinase Bound to LDSM276 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:48.6 occ:1.00 F2 A:F7D401 0.0 48.6 1.0 C16 A:F7D401 1.3 45.6 1.0 C15 A:F7D401 2.3 44.0 1.0 C17 A:F7D401 2.3 43.9 1.0 O2 A:F7D401 2.7 48.8 1.0 CE A:LYS40 3.5 51.8 1.0 C18 A:F7D401 3.6 42.9 1.0 C14 A:F7D401 3.6 43.0 1.0 NZ A:LYS40 3.7 54.1 1.0 CG2 A:VAL25 4.1 48.6 1.0 C19 A:F7D401 4.1 43.1 1.0 C11 A:F7D401 4.2 48.7 1.0 C12 A:F7D401 4.2 51.9 1.0 CD1 A:ILE149 4.5 46.0 1.0 C10 A:F7D401 4.6 47.4 1.0 CG1 A:VAL25 4.6 48.3 1.0 N3 A:F7D401 4.7 42.5 1.0 F1 A:F7D401 4.7 43.1 1.0 N5 A:F7D401 4.8 42.9 1.0 CD1 A:LEU86 4.8 40.5 1.0 CD A:LYS40 4.8 51.0 1.0 CB A:VAL25 5.0 49.4 1.0

R.M.Counago, J.E.Takarada, C.V.Dos Reis, C.R.Guimaraes, H.Azevedo, A.Mascarello, F.H.Gama. Structure of Maternal Embryonic Leucine Zipper Kinase Bound to LDSM276 To Be Published.