Atomistry » Fluorine » PDB 5o6o-5olw » 5olw
Atomistry »
  Fluorine »
    PDB 5o6o-5olw »
      5olw »

Fluorine in PDB 5olw: 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation

Enzymatic activity of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation

All present enzymatic activity of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation:
5.4.2.6;

Protein crystallography data

The structure of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation, PDB code: 5olw was solved by M.W.Bowler, J.Von Velsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.87 / 2.28
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 61.005, 73.971, 120.440, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 26.2

Other elements in 5olw:

The structure of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation also contains other interesting chemical elements:

Calcium (Ca) 5 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation (pdb code 5olw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation, PDB code: 5olw:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5olw

Go back to Fluorine Binding Sites List in 5olw
Fluorine binding site 1 out of 6 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase 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 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F24

b:30.5
occ:0.90
 F A:FTR24 0.0 30.5 0.9
CZ3 A:FTR24 1.3 31.9 0.9
NE1 A:FTR24 2.0 33.6 0.1
CH2 A:FTR24 2.3 30.3 0.9
CE3 A:FTR24 2.4 33.3 0.9
CD1 A:FTR24 2.7 33.3 0.1
CD2 A:LEU27 2.9 48.6 1.0
CE2 A:FTR24 3.2 32.9 0.1
CB A:LEU53 3.3 31.8 1.0
CD1 A:LEU53 3.4 28.0 1.0
CZ2 A:FTR24 3.6 35.5 0.9
CD2 A:FTR24 3.6 34.6 0.9
CA A:LEU53 3.7 29.4 1.0
CG A:LEU53 3.9 41.2 1.0
CZ2 A:FTR24 4.0 35.7 0.1
CG A:FTR24 4.0 33.9 0.1
CB A:LYS76 4.0 38.7 1.0
CE2 A:FTR24 4.1 33.1 0.9
N A:LEU53 4.1 31.5 1.0
CD2 A:FTR24 4.2 34.9 0.1
CG A:LYS76 4.2 40.9 1.0
CD1 A:ILE56 4.3 36.4 1.0
CG A:LEU27 4.4 42.8 1.0
CD2 A:LEU53 4.5 28.6 1.0
O A:ARG49 4.6 31.5 1.0
O A:LEU72 4.7 41.9 1.0
CB A:LEU27 4.8 38.5 1.0
CD A:LYS76 4.8 37.8 1.0
C A:SER52 4.8 36.2 1.0
CG A:FTR24 4.9 33.8 0.9
CA A:ALA73 4.9 40.5 1.0

Fluorine binding site 2 out of 6 in 5olw

Go back to Fluorine Binding Sites List in 5olw
Fluorine binding site 2 out of 6 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase 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 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F24

b:20.6
occ:0.10
 F A:FTR24 0.0 20.6 0.1
CZ3 A:FTR24 1.4 36.1 0.1
NE1 A:FTR24 2.3 34.8 0.9
CE3 A:FTR24 2.4 35.5 0.1
CH2 A:FTR24 2.4 40.2 0.1
CD1 A:FTR24 3.1 33.4 0.9
O A:HOH441 3.1 28.2 1.0
O A:HOH492 3.2 33.6 1.0
CE2 A:FTR24 3.4 33.1 0.9
CB A:HIS20 3.7 23.4 1.0
O A:LEU44 3.7 37.1 1.0
CZ2 A:FTR24 3.7 35.7 0.1
CD2 A:FTR24 3.7 34.9 0.1
ND1 A:HIS20 3.8 43.1 1.0
CG A:HIS20 3.8 31.2 1.0
NZ A:LYS76 4.0 31.2 1.0
CZ2 A:FTR24 4.1 35.5 0.9
CB A:LEU44 4.1 28.7 1.0
CE2 A:FTR24 4.2 32.9 0.1
C A:LEU44 4.2 33.3 1.0
CG A:FTR24 4.3 33.8 0.9
OG A:SER52 4.4 34.2 1.0
CD2 A:FTR24 4.5 34.6 0.9
CE1 A:HIS20 4.6 34.0 1.0
CE A:LYS76 4.6 36.8 1.0
CD2 A:HIS20 4.7 30.1 1.0
CA A:HIS20 4.7 29.5 1.0
CA A:LEU44 4.8 35.0 1.0
N A:LYS45 4.9 33.8 1.0
O A:VAL47 4.9 43.7 1.0
O A:HIS20 4.9 30.9 1.0
C A:HIS20 4.9 32.9 1.0
CG A:FTR24 4.9 33.9 0.1
CB A:SER52 5.0 27.4 1.0
CA A:LYS45 5.0 36.5 1.0

Fluorine binding site 3 out of 6 in 5olw

Go back to Fluorine Binding Sites List in 5olw
Fluorine binding site 3 out of 6 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase 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 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F216

b:56.5
occ:1.00
 F A:FTR216 0.0 56.5 1.0
CZ3 A:FTR216 1.4 52.0 1.0
CH2 A:FTR216 2.4 52.1 1.0
CE3 A:FTR216 2.4 46.9 1.0
O A:SER165 3.1 46.5 1.0
C A:SER165 3.5 52.4 1.0
CB A:LEU184 3.5 33.1 1.0
CZ2 A:FTR216 3.6 48.4 1.0
CD2 A:FTR216 3.7 50.0 1.0
CG1 A:ILE166 3.7 36.2 1.0
N A:SER165 3.8 40.9 1.0
N A:ILE166 4.1 46.2 1.0
CD2 A:LEU184 4.1 42.0 1.0
CE2 A:FTR216 4.1 48.9 1.0
C A:GLU164 4.1 43.0 0.5
O A:SER163 4.2 49.1 1.0
C A:GLU164 4.2 43.2 0.6
NZ A:LYS219 4.2 77.7 1.0
CA A:SER165 4.2 48.9 1.0
CB A:PHE2 4.2 39.1 1.0
N A:LEU184 4.3 36.1 1.0
CE A:LYS219 4.4 74.7 1.0
CG A:LEU184 4.5 47.4 1.0
CA A:ILE166 4.5 32.3 1.0
CA A:LEU184 4.5 47.3 1.0
O A:GLU164 4.5 40.1 0.6
O A:GLU164 4.6 40.3 0.5
CD1 A:ILE166 4.6 42.2 1.0
CA A:GLU164 4.7 44.9 0.5
C A:SER163 4.7 46.2 1.0
CB A:ILE166 4.8 37.9 1.0
CA A:GLU164 4.8 44.8 0.6
CG A:FTR216 4.9 49.1 1.0

Fluorine binding site 4 out of 6 in 5olw

Go back to Fluorine Binding Sites List in 5olw
Fluorine binding site 4 out of 6 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F24

b:33.3
occ:0.90
 F B:FTR24 0.0 33.3 0.9
CZ3 B:FTR24 1.3 31.4 0.9
CE3 B:FTR24 2.3 31.5 0.9
CH2 B:FTR24 2.4 31.0 0.9
CD2 B:LEU27 2.5 63.2 1.0
NE1 B:FTR24 2.8 33.4 0.1
CD1 B:FTR24 3.1 37.3 0.1
CB B:LEU53 3.4 40.4 1.0
CD1 B:LEU53 3.5 40.5 1.0
CD2 B:FTR24 3.6 36.6 0.9
CZ2 B:FTR24 3.6 33.9 0.9
CA B:LEU53 3.7 46.7 1.0
CB B:LYS76 3.9 40.9 1.0
CG B:LEU27 3.9 57.3 1.0
CG B:LEU53 4.0 41.2 1.0
CG B:LYS76 4.1 29.6 1.0
CE2 B:FTR24 4.1 33.0 0.9
N B:LEU53 4.1 49.3 1.0
CE2 B:FTR24 4.1 33.9 0.1
CD1 B:ILE56 4.3 45.0 1.0
CG B:FTR24 4.4 38.9 0.1
CD1 B:LEU27 4.4 57.4 1.0
O B:ARG49 4.7 54.9 1.0
CD2 B:LEU53 4.7 40.3 1.0
O B:LEU72 4.8 38.4 1.0
CD B:LYS76 4.8 31.4 1.0
CG B:FTR24 4.8 40.5 0.9
CB B:LEU27 4.9 62.4 1.0
C B:SER52 4.9 54.3 1.0
CD2 B:FTR24 4.9 36.7 0.1
CZ2 B:FTR24 5.0 37.1 0.1

Fluorine binding site 5 out of 6 in 5olw

Go back to Fluorine Binding Sites List in 5olw
Fluorine binding site 5 out of 6 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F24

b:28.2
occ:0.10
 F B:FTR24 0.0 28.2 0.1
CZ3 B:FTR24 1.4 37.0 0.1
CH2 B:FTR24 2.3 41.5 0.1
CE3 B:FTR24 2.4 38.1 0.1
O B:HOH410 2.6 49.4 1.0
O B:HOH447 2.8 43.4 1.0
NE1 B:FTR24 2.9 36.0 0.9
O B:LEU44 3.3 56.4 1.0
CD1 B:FTR24 3.5 36.6 0.9
CB B:HIS20 3.5 35.5 1.0
CZ2 B:FTR24 3.6 37.1 0.1
CD2 B:FTR24 3.7 36.7 0.1
C B:LEU44 3.7 51.8 1.0
CG B:HIS20 3.8 37.4 1.0
CB B:LEU44 4.0 44.3 1.0
ND1 B:HIS20 4.0 27.7 1.0
CE2 B:FTR24 4.1 33.9 0.1
CE2 B:FTR24 4.2 33.0 0.9
N B:LYS45 4.2 50.3 1.0
CA B:LYS45 4.2 53.1 1.0
O B:HOH434 4.4 28.3 1.0
CA B:LEU44 4.5 51.3 1.0
CD2 B:HIS20 4.6 26.9 1.0
O B:HOH478 4.7 25.3 1.0
CA B:HIS20 4.7 44.3 1.0
N B:GLY46 4.8 63.3 1.0
CE1 B:HIS20 4.8 39.3 1.0
ND2 B:ASN41 4.8 32.9 1.0
NZ B:LYS76 4.8 35.8 1.0
CG B:FTR24 4.8 40.5 0.9
C B:HIS20 4.9 38.3 1.0
CZ2 B:FTR24 4.9 33.9 0.9
OG B:SER52 4.9 47.6 1.0
C B:LYS45 4.9 64.4 1.0
CG B:FTR24 5.0 38.9 0.1

Fluorine binding site 6 out of 6 in 5olw

Go back to Fluorine Binding Sites List in 5olw
Fluorine binding site 6 out of 6 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in An Open Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F216

b:67.2
occ:1.00
 F B:FTR216 0.0 67.2 1.0
CZ3 B:FTR216 1.3 62.2 1.0
CE3 B:FTR216 2.3 52.8 1.0
CH2 B:FTR216 2.3 60.7 1.0
O B:SER165 2.8 42.7 1.0
O B:HOH457 2.9 57.2 1.0
CB B:LEU184 3.4 43.1 1.0
C B:SER165 3.5 42.6 1.0
CD2 B:FTR216 3.5 49.8 1.0
CZ2 B:FTR216 3.6 58.1 1.0
N B:SER165 3.8 48.1 1.0
O B:SER163 3.9 64.2 1.0
CE2 B:FTR216 4.1 50.9 1.0
CG1 B:ILE166 4.1 43.7 1.0
C B:GLU164 4.1 49.6 1.0
N B:ILE166 4.2 44.2 1.0
CA B:SER165 4.2 46.8 1.0
N B:LEU184 4.2 48.2 1.0
CD2 B:LEU184 4.3 46.8 1.0
CB B:PHE2 4.3 46.9 1.0
CG B:LEU184 4.5 43.4 1.0
CA B:LEU184 4.5 46.6 1.0
CA B:GLU164 4.5 51.8 0.6
C B:SER163 4.5 56.8 1.0
O B:GLU164 4.5 42.8 1.0
CA B:ILE166 4.6 49.8 1.0
CA B:GLU164 4.6 51.7 0.5
CG B:FTR216 4.9 44.5 1.0
NE2 B:GLN220 4.9 68.3 1.0
N B:GLU164 4.9 51.5 1.0
O B:PRO162 5.0 53.1 1.0
CB B:ILE166 5.0 47.4 1.0

Reference:

A.Ampaw, M.Carroll, J.Von Velsen, D.Bhattasali, A.Cohen, M.W.Bowler, D.L.Jakeman. Observing Enzyme Ternary Transition State Analogue Complexes BY19F uc(Nmr) Spectroscopy. Chem Sci V. 8 8427 2017.
ISSN: ISSN 2041-6520
PubMed: 29619190
DOI: 10.1039/C7SC04204C
Page generated: Tue Jul 15 05:50:56 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy