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Fluorine in PDB 2wfa: Structure of Beta-Phosphoglucomutase Inhibited with Beryllium Trifluoride, in An Open Conformation.

Enzymatic activity of Structure of Beta-Phosphoglucomutase Inhibited with Beryllium Trifluoride, in An Open Conformation.

All present enzymatic activity of Structure of Beta-Phosphoglucomutase Inhibited with Beryllium Trifluoride, in An Open Conformation.:
5.4.2.6;

Protein crystallography data

The structure of Structure of Beta-Phosphoglucomutase Inhibited with Beryllium Trifluoride, in An Open Conformation., PDB code: 2wfa 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 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.300, 57.300, 75.000, 90.00, 90.00, 90.00
R / Rfree (%) 20.2 / 23.7

Other elements in 2wfa:

The structure of Structure of Beta-Phosphoglucomutase Inhibited with Beryllium Trifluoride, in An Open Conformation. also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Beta-Phosphoglucomutase Inhibited with Beryllium Trifluoride, in An Open Conformation. (pdb code 2wfa). 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 Beryllium Trifluoride, in An Open Conformation., PDB code: 2wfa:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 2wfa

Go back to Fluorine Binding Sites List in 2wfa
Fluorine binding site 1 out of 3 in the Structure of Beta-Phosphoglucomutase Inhibited with Beryllium Trifluoride, in An Open Conformation.


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 Beryllium Trifluoride, in An Open Conformation. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1223

b:12.5
occ:1.00
F1 A:BEF1223 0.0 12.5 1.0
BE A:BEF1223 1.5 13.2 1.0
F2 A:BEF1223 2.6 12.8 1.0
F3 A:BEF1223 2.6 13.6 1.0
O A:HOH2139 2.6 24.8 1.0
OD2 A:ASP8 2.6 10.4 1.0
N A:ALA115 2.9 12.9 1.0
NZ A:LYS145 3.0 15.8 1.0
O A:HOH2106 3.5 35.0 1.0
CB A:ALA115 3.5 12.9 1.0
CA A:SER114 3.7 13.0 1.0
CG A:ASP8 3.7 10.2 1.0
C A:SER114 3.8 13.1 1.0
CA A:ALA115 3.8 12.7 1.0
OG A:SER114 3.9 13.2 1.0
CE A:LYS145 3.9 16.8 1.0
O A:HOH2152 3.9 14.9 1.0
OD1 A:ASP8 4.2 9.0 1.0
MG A:MG1222 4.3 11.8 1.0
CB A:SER114 4.3 12.8 1.0
CD A:LYS145 4.5 16.5 1.0
O A:ALA113 4.5 13.3 1.0
OE2 A:GLU169 4.6 13.1 1.0
N A:SER116 4.7 12.6 1.0
C A:ALA115 4.7 12.8 1.0
N A:LEU9 4.9 10.7 1.0
N A:SER114 4.9 12.6 1.0
CB A:ASP8 5.0 10.1 1.0
O A:SER114 5.0 13.5 1.0

Fluorine binding site 2 out of 3 in 2wfa

Go back to Fluorine Binding Sites List in 2wfa
Fluorine binding site 2 out of 3 in the Structure of Beta-Phosphoglucomutase Inhibited with Beryllium Trifluoride, in An Open Conformation.


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 Beryllium Trifluoride, in An Open Conformation. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1223

b:12.8
occ:1.00
F2 A:BEF1223 0.0 12.8 1.0
BE A:BEF1223 1.6 13.2 1.0
F1 A:BEF1223 2.6 12.5 1.0
F3 A:BEF1223 2.6 13.6 1.0
OG A:SER114 2.6 13.2 1.0
OD2 A:ASP8 2.7 10.4 1.0
N A:ASP10 2.8 12.4 1.0
O A:HOH2106 2.9 35.0 1.0
N A:LEU9 3.1 10.7 1.0
CB A:LEU9 3.3 11.8 1.0
CB A:SER114 3.4 12.8 1.0
CA A:LEU9 3.5 11.5 1.0
C A:LEU9 3.6 11.8 1.0
CG A:ASP8 3.6 10.2 1.0
CB A:ASP10 3.7 13.2 1.0
CA A:ASP10 3.8 12.7 1.0
CA A:SER114 3.8 13.0 1.0
N A:ALA115 3.9 12.9 1.0
OD1 A:ASP8 4.0 9.0 1.0
MG A:MG1222 4.3 11.8 1.0
C A:ASP8 4.3 10.3 1.0
O A:ASP10 4.3 12.3 1.0
C A:SER114 4.4 13.1 1.0
CG A:LEU9 4.4 13.7 1.0
C A:ASP10 4.6 12.4 1.0
CD2 A:LEU9 4.6 16.3 1.0
N A:SER116 4.6 12.6 1.0
CA A:ASP8 4.6 10.0 1.0
CB A:ASP8 4.7 10.1 1.0
O A:LEU9 4.7 11.4 1.0
O A:HOH2139 4.8 24.8 1.0
NZ A:LYS145 4.9 15.8 1.0
CB A:SER116 4.9 12.8 1.0

Fluorine binding site 3 out of 3 in 2wfa

Go back to Fluorine Binding Sites List in 2wfa
Fluorine binding site 3 out of 3 in the Structure of Beta-Phosphoglucomutase Inhibited with Beryllium Trifluoride, in An Open Conformation.


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 Beryllium Trifluoride, in An Open Conformation. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1223

b:13.6
occ:1.00
F3 A:BEF1223 0.0 13.6 1.0
BE A:BEF1223 1.6 13.2 1.0
MG A:MG1222 2.0 11.8 1.0
F1 A:BEF1223 2.6 12.5 1.0
F2 A:BEF1223 2.6 12.8 1.0
OD2 A:ASP8 2.7 10.4 1.0
O A:HOH2152 2.8 14.9 1.0
OD1 A:ASP8 2.8 9.0 1.0
O A:HOH2154 3.0 12.4 1.0
O A:ASP10 3.0 12.3 1.0
CG A:ASP8 3.1 10.2 1.0
O A:HOH2139 3.3 24.8 1.0
CB A:ASP10 3.3 13.2 1.0
N A:ASP10 3.5 12.4 1.0
O A:HOH2106 3.6 35.0 1.0
CA A:ASP10 3.7 12.7 1.0
C A:ASP10 3.7 12.4 1.0
OD1 A:ASP170 4.0 11.4 1.0
OD2 A:ASP10 4.2 19.9 1.0
CG A:ASP10 4.3 16.0 1.0
N A:LEU9 4.6 10.7 1.0
C A:LEU9 4.6 11.8 1.0
CB A:ASP8 4.6 10.1 1.0
NZ A:LYS145 4.6 15.8 1.0
OE1 A:GLU169 4.9 13.5 1.0
OE2 A:GLU169 4.9 13.1 1.0
CG A:ASP170 5.0 12.4 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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