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Fluorine in PDB 2wf9: Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 2

Enzymatic activity of Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 2

All present enzymatic activity of Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 2:
5.4.2.6;

Protein crystallography data

The structure of Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 2, PDB code: 2wf9 was solved by M.W.Bowler, N.J.Baxter, C.E.Webster, S.Pollard, T.Alizadeh, A.M.Hounslow, M.J.Cliff, W.Bermel, N.H.Williams, F.Hollfelder, G.M.Blackburn, J.P.Waltho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 32.100, 72.700, 85.200, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 20

Other elements in 2wf9:

The structure of Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 2 also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 2 (pdb code 2wf9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 2, PDB code: 2wf9:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 2wf9

Go back to Fluorine Binding Sites List in 2wf9
Fluorine binding site 1 out of 3 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 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 Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1225

b:8.8
occ:1.00
 F1 A:BEF1225 0.0 8.8 1.0
BE A:BEF1225 1.6 8.4 1.0
F2 A:BEF1225 2.5 7.9 1.0
F3 A:BEF1225 2.6 8.6 1.0
OD1 A:ASP8 2.6 6.6 1.0
O A:HOH2055 2.7 15.1 1.0
N A:ALA115 2.8 8.2 1.0
O1 A:G6P1223 2.9 14.4 0.5
NZ A:LYS145 3.1 9.7 1.0
O1 A:BG61224 3.3 15.0 0.5
CB A:ALA115 3.4 8.8 1.0
CA A:SER114 3.6 7.6 1.0
OG A:SER114 3.7 7.9 1.0
CA A:ALA115 3.7 8.5 1.0
C A:SER114 3.7 7.9 1.0
C1 A:G6P1223 3.7 14.9 0.5
C1 A:BG61224 3.7 14.9 0.5
CG A:ASP8 3.8 6.5 1.0
O A:HOH2195 4.1 10.0 1.0
CE A:LYS145 4.1 10.1 1.0
CB A:SER114 4.1 7.7 1.0
OD2 A:ASP8 4.3 7.9 1.0
MG A:MG1222 4.3 7.7 1.0
O5 A:G6P1223 4.4 14.2 0.5
O5 A:BG61224 4.4 14.2 0.5
N A:SER116 4.5 8.8 1.0
C A:ALA115 4.6 8.6 1.0
O A:GLY46 4.6 22.5 1.0
O A:ALA113 4.6 7.7 1.0
CD A:LYS145 4.7 11.4 1.0
OE1 A:GLU169 4.8 8.6 1.0
CA A:GLY46 4.9 23.8 1.0
N A:LEU9 4.9 5.6 1.0
O A:SER114 4.9 8.1 1.0
N A:SER114 4.9 7.4 1.0
CB A:ASP8 5.0 5.6 1.0

Fluorine binding site 2 out of 3 in 2wf9

Go back to Fluorine Binding Sites List in 2wf9
Fluorine binding site 2 out of 3 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 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 Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1225

b:7.9
occ:1.00
 F2 A:BEF1225 0.0 7.9 1.0
BE A:BEF1225 1.5 8.4 1.0
F1 A:BEF1225 2.5 8.8 1.0
F3 A:BEF1225 2.6 8.6 1.0
OD1 A:ASP8 2.6 6.6 1.0
OG A:SER114 2.7 7.9 1.0
N A:ASP10 2.8 6.6 1.0
O1 A:BG61224 2.9 15.0 0.5
N A:LEU9 3.0 5.6 1.0
CB A:LEU9 3.3 6.6 1.0
CB A:SER114 3.3 7.7 1.0
CA A:LEU9 3.4 6.3 1.0
CG A:ASP8 3.5 6.5 1.0
C A:LEU9 3.5 6.5 1.0
CA A:SER114 3.7 7.6 1.0
CB A:ASP10 3.8 7.7 1.0
CA A:ASP10 3.8 7.3 1.0
O1 A:G6P1223 3.9 14.4 0.5
OD2 A:ASP8 3.9 7.9 1.0
C1 A:G6P1223 4.0 14.9 0.5
C1 A:BG61224 4.0 14.9 0.5
N A:ALA115 4.1 8.2 1.0
C A:ASP8 4.2 5.6 1.0
MG A:MG1222 4.2 7.7 1.0
O A:ASP10 4.4 7.3 1.0
C A:SER114 4.4 7.9 1.0
CG A:LEU9 4.5 8.3 1.0
CA A:ASP8 4.5 5.5 1.0
C A:ASP10 4.6 7.1 1.0
CB A:ASP8 4.6 5.6 1.0
O5 A:G6P1223 4.7 14.2 0.5
O5 A:BG61224 4.7 14.2 0.5
O A:LEU9 4.7 6.4 1.0
N A:SER116 4.7 8.8 1.0
CD2 A:LEU9 4.8 10.9 1.0
NZ A:LYS145 4.9 9.7 1.0
O A:HOH2055 4.9 15.1 1.0
CB A:SER116 5.0 9.1 1.0
N A:SER114 5.0 7.4 1.0

Fluorine binding site 3 out of 3 in 2wf9

Go back to Fluorine Binding Sites List in 2wf9
Fluorine binding site 3 out of 3 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 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 Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphate, and Beryllium Trifluoride, Crystal Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1225

b:8.6
occ:1.00
 F3 A:BEF1225 0.0 8.6 1.0
BE A:BEF1225 1.6 8.4 1.0
MG A:MG1222 2.0 7.7 1.0
F2 A:BEF1225 2.6 7.9 1.0
F1 A:BEF1225 2.6 8.8 1.0
OD1 A:ASP8 2.7 6.6 1.0
OD2 A:ASP8 2.8 7.9 1.0
O A:HOH2195 2.8 10.0 1.0
O A:HOH2006 2.9 12.6 1.0
O A:ASP10 3.1 7.3 1.0
CG A:ASP8 3.1 6.5 1.0
O1 A:BG61224 3.2 15.0 0.5
O1 A:G6P1223 3.3 14.4 0.5
CB A:ASP10 3.3 7.7 1.0
O A:HOH2055 3.4 15.1 1.0
N A:ASP10 3.5 6.6 1.0
CA A:ASP10 3.7 7.3 1.0
C1 A:G6P1223 3.8 14.9 0.5
C1 A:BG61224 3.8 14.9 0.5
C A:ASP10 3.8 7.1 1.0
O2 A:G6P1223 3.8 16.3 0.5
O2 A:BG61224 3.8 16.3 0.5
OD1 A:ASP170 4.1 7.8 1.0
CA A:GLY46 4.3 23.8 1.0
OD2 A:ASP10 4.3 15.1 1.0
CG A:ASP10 4.3 10.6 1.0
C2 A:G6P1223 4.4 15.2 0.5
C2 A:BG61224 4.4 15.2 0.5
N A:LEU9 4.5 5.6 1.0
C A:LEU9 4.5 6.5 1.0
CB A:ASP8 4.6 5.6 1.0
NZ A:LYS145 4.7 9.7 1.0
N A:GLY46 4.9 25.1 1.0
OE1 A:GLU169 5.0 8.6 1.0

Reference:

J.L.Griffin, M.W.Bowler, N.J.Baxter, K.N.Leigh, H.R.Dannatt, A.M.Hounslow, G.M.Blackburn, C.E.Webster, M.J.Cliff, J.P.Waltho. Near Attack Conformers Dominate Beta-Phosphoglucomutase Complexes Where Geometry and Charge Distribution Reflect Those of Substrate. Proc.Natl.Acad.Sci.Usa V. 109 6910 2012.
ISSN: ISSN 0027-8424
PubMed: 22505741
DOI: 10.1073/PNAS.1116855109
Page generated: Wed Jul 31 16:25:07 2024

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