Fluorine in PDB 6vzh: Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311

All present enzymatic activity of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311:
2.7.11.1;

The structure of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311, PDB code: 6vzh was solved by C.V.Dos Reis, L.A.Dutra, F.Gama, M.Ferreira, A.Mascarello, H.Azevedo, C.Guimaraes, K.B.Massirer, P.Arruda, A.M.Edwards, R.M.Counago, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	92.158, 95.641, 192.593, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 25.1

The binding sites of Fluorine atom in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311 (pdb code 6vzh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311, PDB code: 6vzh:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311 within 5.0Å range: probe atom residue distance (Å) B Occ B:F404 b:79.4 occ:1.00 F1 B:RYA404 0.0 79.4 1.0 C13 B:RYA404 1.3 76.3 1.0 C14 B:RYA404 2.3 76.4 1.0 C12 B:RYA404 2.4 74.8 1.0 O2 B:RYA404 2.7 72.0 1.0 NZ B:LYS71 3.1 69.4 1.0 CE B:LYS71 3.4 71.2 1.0 C11 B:RYA404 3.6 74.6 1.0 C9 B:RYA404 3.6 76.8 1.0 CD1 B:ILE51 3.7 89.5 1.0 CG2 B:VAL196 4.1 66.3 1.0 C10 B:RYA404 4.1 76.0 1.0 CB B:VAL196 4.1 65.9 1.0 C16 B:RYA404 4.2 82.5 1.0 C15 B:RYA404 4.2 85.4 1.0 CD B:LYS71 4.3 71.1 1.0 N B:ASP197 4.4 64.9 1.0 N3 B:RYA404 4.7 82.9 1.0 C8 B:RYA404 4.7 86.6 1.0 F2 B:RYA404 4.7 73.4 1.0 N5 B:RYA404 4.8 79.6 1.0 CG1 B:VAL196 4.8 67.2 1.0 CA B:ASP197 4.9 64.7 1.0

Fluorine binding site 2 out of 4 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311 within 5.0Å range: probe atom residue distance (Å) B Occ B:F404 b:73.4 occ:1.00 F2 B:RYA404 0.0 73.4 1.0 C11 B:RYA404 1.3 74.6 1.0 C10 B:RYA404 2.3 76.0 1.0 C12 B:RYA404 2.4 74.8 1.0 O2 B:RYA404 2.7 72.0 1.0 CE B:MET131 3.3 72.3 1.0 CB B:MET131 3.5 75.1 1.0 CB B:PRO111 3.6 68.3 1.0 C13 B:RYA404 3.6 76.3 1.0 C9 B:RYA404 3.6 76.8 1.0 OH B:TYR87 3.7 67.6 1.0 CG B:MET131 3.7 74.9 1.0 CG B:PRO111 3.8 66.3 1.0 CG1 B:VAL196 4.0 67.2 1.0 C14 B:RYA404 4.1 76.4 1.0 SD B:MET131 4.2 73.6 1.0 CB B:VAL196 4.4 65.9 1.0 CE2 B:PHE134 4.6 74.4 1.0 CZ B:TYR87 4.7 66.6 1.0 F1 B:RYA404 4.7 79.4 1.0 N5 B:RYA404 4.8 79.6 1.0 CA B:MET131 4.9 77.0 1.0 NZ B:LYS71 4.9 69.4 1.0 O B:ASP132 4.9 78.4 1.0 CD B:LYS71 4.9 71.1 1.0

Fluorine binding site 3 out of 4 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311 within 5.0Å range: probe atom residue distance (Å) B Occ D:F404 b:71.5 occ:1.00 F1 D:RYA404 0.0 71.5 1.0 C13 D:RYA404 1.3 71.5 1.0 C14 D:RYA404 2.3 73.9 1.0 C12 D:RYA404 2.4 71.4 1.0 O2 D:RYA404 2.7 69.7 1.0 CE D:LYS71 3.6 77.0 1.0 C11 D:RYA404 3.6 70.9 1.0 C9 D:RYA404 3.6 74.5 1.0 NZ D:LYS71 3.6 75.8 1.0 CD1 D:ILE51 3.7 80.7 1.0 C10 D:RYA404 4.1 72.6 1.0 CG2 D:VAL196 4.2 61.6 1.0 CB D:ASP197 4.3 64.8 1.0 N D:ASP197 4.4 60.5 1.0 CD D:LYS71 4.4 76.0 1.0 OD2 D:ASP197 4.5 75.5 1.0 CA D:ASP197 4.6 62.3 1.0 CB D:VAL196 4.6 61.0 1.0 C8 D:RYA404 4.6 89.9 1.0 N3 D:RYA404 4.7 83.3 1.0 CG D:ASP197 4.7 69.2 1.0 F2 D:RYA404 4.7 70.4 1.0 N5 D:RYA404 4.8 77.5 1.0

Fluorine binding site 4 out of 4 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311 within 5.0Å range: probe atom residue distance (Å) B Occ D:F404 b:70.4 occ:1.00 F2 D:RYA404 0.0 70.4 1.0 C11 D:RYA404 1.3 70.9 1.0 C10 D:RYA404 2.3 72.6 1.0 C12 D:RYA404 2.4 71.4 1.0 O2 D:RYA404 2.7 69.7 1.0 C13 D:RYA404 3.6 71.5 1.0 C9 D:RYA404 3.6 74.5 1.0 CG D:MET131 3.7 64.7 1.0 CB D:MET131 3.8 66.1 1.0 CE D:MET131 3.8 61.1 1.0 OH D:TYR87 3.9 64.8 1.0 CG D:PRO111 3.9 61.5 1.0 CB D:VAL196 4.1 61.0 1.0 C14 D:RYA404 4.1 73.9 1.0 CB D:PRO111 4.2 61.9 1.0 CG1 D:VAL196 4.4 62.9 1.0 SD D:MET131 4.5 63.9 1.0 N D:ASP197 4.5 60.5 1.0 CD D:LYS71 4.6 76.0 1.0 CA D:VAL196 4.6 59.2 1.0 CE2 D:PHE134 4.6 69.5 1.0 F1 D:RYA404 4.7 71.5 1.0 N5 D:RYA404 4.7 77.5 1.0 OE2 D:GLU83 4.7 69.4 1.0 NZ D:LYS71 4.8 75.8 1.0 CZ D:TYR87 4.9 62.8 1.0

C.V.Dos Reis, L.A.Dutra, F.Gama, M.Ferreira, A.Mascarello, H.Azevedo, C.R.W.Guimaraes, K.B.Massirer, P.Arruda, A.M.Edwards, R.M.Counago. Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to LDSM311 To Be Published.