Fluorine in PDB 2y7j: Structure of Human Phosphorylase Kinase, Gamma 2

All present enzymatic activity of Structure of Human Phosphorylase Kinase, Gamma 2:
2.7.11.19;

The structure of Structure of Human Phosphorylase Kinase, Gamma 2, PDB code: 2y7j was solved by J.R.C.Muniz, A.Shrestha, P.Savitsky, J.Wang, P.Rellos, O.Fedorov, N.Burgess-Brown, B.Brenner, G.Berridge, J.M.Elkins, T.Krojer, M.Vollmar, K.H.Che, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.14 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.790, 91.420, 164.480, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.6

The binding sites of Fluorine atom in the Structure of Human Phosphorylase Kinase, Gamma 2 (pdb code 2y7j). 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 Phosphorylase Kinase, Gamma 2, PDB code: 2y7j:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of Human Phosphorylase Kinase, Gamma 2


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 Phosphorylase Kinase, Gamma 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1294 b:36.3 occ:1.00 F29 A:B491294 0.0 36.3 1.0 C15 A:B491294 1.3 28.2 1.0 C7 A:B491294 2.3 25.5 1.0 C5 A:B491294 2.3 25.7 1.0 O A:HOH2063 2.9 37.2 1.0 O A:HOH2062 3.3 43.4 1.0 OD1 A:ASP171 3.4 55.6 1.0 C6 A:B491294 3.6 26.7 1.0 C17 A:B491294 3.6 28.1 1.0 C16 A:B491294 4.1 25.6 1.0 O A:HOH2016 4.1 37.9 1.0 CG2 A:VAL38 4.2 31.8 1.0 CG A:ASP171 4.6 51.5 1.0 CD A:LYS53 4.8 49.9 1.0 C20 A:B491294 4.8 28.6 1.0 CB A:SER170 4.9 32.6 1.0 OG A:SER170 4.9 44.7 1.0 CG1 A:VAL38 5.0 31.2 1.0

Fluorine binding site 2 out of 4 in the Structure of Human Phosphorylase Kinase, Gamma 2


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 Phosphorylase Kinase, Gamma 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1294 b:39.9 occ:1.00 F29 B:B491294 0.0 39.9 1.0 C15 B:B491294 1.3 35.7 1.0 C5 B:B491294 2.4 32.8 1.0 C7 B:B491294 2.4 32.7 1.0 O B:HOH2036 3.1 39.3 1.0 O B:HOH2016 3.5 39.4 1.0 C6 B:B491294 3.6 33.1 1.0 C17 B:B491294 3.7 32.4 1.0 O B:HOH2019 3.7 40.8 1.0 OD1 B:ASP171 3.7 35.6 0.5 O B:HOH2008 4.1 54.9 1.0 C16 B:B491294 4.2 32.5 1.0 CG2 B:VAL38 4.4 40.2 1.0 CD B:LYS53 4.4 49.8 1.0 CE2 B:PHE107 4.7 34.2 1.0 CG B:ASP171 4.8 36.0 0.5 CD2 B:PHE107 4.9 32.6 1.0 CE B:LYS53 5.0 62.4 1.0 NZ B:LYS53 5.0 69.5 1.0 CB B:LYS53 5.0 40.0 1.0

Fluorine binding site 3 out of 4 in the Structure of Human Phosphorylase Kinase, Gamma 2


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 Phosphorylase Kinase, Gamma 2 within 5.0Å range: probe atom residue distance (Å) B Occ C:F1294 b:39.1 occ:1.00 F29 C:B491294 0.0 39.1 1.0 C15 C:B491294 1.3 35.0 1.0 C5 C:B491294 2.4 34.8 1.0 C7 C:B491294 2.4 33.9 1.0 O C:HOH2054 3.3 38.2 1.0 C6 C:B491294 3.6 35.0 1.0 C17 C:B491294 3.6 36.1 1.0 C16 C:B491294 4.1 33.4 1.0 O C:HOH2005 4.2 54.6 1.0 CG2 C:VAL38 4.2 32.5 1.0 OD2 C:ASP171 4.2 58.8 1.0 O C:HOH2052 4.3 36.4 1.0 O C:HOH2036 4.5 38.9 1.0 CD C:LYS53 4.5 46.0 1.0 O C:HOH2023 4.5 50.3 1.0 OD1 C:ASP171 4.6 54.0 1.0 CG C:ASP171 4.7 53.3 1.0 C20 C:B491294 4.9 38.6 1.0 CB C:SER170 4.9 34.8 1.0 CE C:LYS53 5.0 43.0 1.0 CE2 C:PHE107 5.0 31.9 1.0 CG1 C:VAL38 5.0 31.4 1.0 CG C:LYS53 5.0 36.5 1.0

Fluorine binding site 4 out of 4 in the Structure of Human Phosphorylase Kinase, Gamma 2


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 Phosphorylase Kinase, Gamma 2 within 5.0Å range: probe atom residue distance (Å) B Occ D:F1294 b:48.8 occ:1.00 F29 D:B491294 0.0 48.8 1.0 C15 D:B491294 1.3 44.2 1.0 C7 D:B491294 2.4 40.5 1.0 C5 D:B491294 2.4 45.2 1.0 O D:HOH2037 3.3 43.0 1.0 O D:HOH2038 3.3 49.2 1.0 C6 D:B491294 3.7 43.6 1.0 C17 D:B491294 3.7 40.5 1.0 OD1 D:ASP171 4.0 78.0 1.0 C16 D:B491294 4.2 40.0 1.0 OD2 D:ASP171 4.3 70.9 1.0 CG2 D:VAL38 4.4 38.1 1.0 CG D:ASP171 4.5 66.7 1.0 CD D:LYS53 4.5 37.4 1.0 CE2 D:PHE107 4.9 34.9 1.0 C20 D:B491294 5.0 39.5 1.0 NZ D:LYS53 5.0 64.9 1.0

J.R.C.Muniz, A.Shrestha, P.Savitsky, J.Wang, P.Rellos, O.Fedorov, N.Burgess-Brown, B.Brenner, G.Berridge, J.M.Elkins, T.Krojer, M.Vollmar, K.H.Che, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp. Structure of Human Phosphorylase Kinase, Gamma 2 To Be Published.