Fluorine in PDB 6i03: D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A

Enzymatic activity of D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A

All present enzymatic activity of D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A:
5.4.2.6;

Protein crystallography data

The structure of D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A, PDB code: 6i03 was solved by A.J.Robertson, J.P.Waltho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.33 / 1.02
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.520, 54.280, 104.420, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 17.5

Other elements in 6i03:

The structure of D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A also contains other interesting chemical elements:

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

Fluorine Binding Sites:

The binding sites of Fluorine atom in the D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A (pdb code 6i03). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A, PDB code: 6i03:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 6i03

Go back to Fluorine Binding Sites List in 6i03
Fluorine binding site 1 out of 4 in the D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:10.5
occ:1.00
 F1 A:ALF301 0.0 10.5 1.0
AL A:ALF301 1.8 11.3 1.0
MG A:MG304 2.0 10.3 1.0
F4 A:ALF301 2.5 12.6 1.0
O1 A:BG6302 2.6 11.0 1.0
F3 A:ALF301 2.6 10.4 1.0
OD1 A:ASP8 2.7 10.5 1.0
O2 A:BG6302 2.8 11.5 1.0
OD2 A:ASP8 2.8 11.3 1.0
O A:HOH440 2.8 12.8 1.0
O A:ASN10 2.9 10.3 1.0
O A:HOH451 3.0 11.7 1.0
CG A:ASP8 3.1 10.3 1.0
CB A:ASN10 3.2 9.8 1.0
N A:ASN10 3.3 8.5 1.0
C1 A:BG6302 3.4 11.1 1.0
C2 A:BG6302 3.5 11.3 1.0
CA A:ASN10 3.6 8.9 1.0
F2 A:ALF301 3.6 12.6 1.0
C A:ASN10 3.7 8.9 1.0
ND2 A:ASN10 3.7 11.3 1.0
CG A:ASN10 3.9 10.0 1.0
OD1 A:ASP170 4.1 10.7 1.0
C A:LEU9 4.4 8.1 1.0
O A:HOH509 4.4 12.1 1.0
N A:LEU9 4.4 8.8 1.0
CB A:ASP8 4.6 11.3 1.0
N A:GLY46 4.6 12.7 1.0
O5 A:BG6302 4.7 10.9 1.0
CA A:GLY46 4.7 13.1 1.0
NZ A:LYS145 4.8 9.4 0.5
C3 A:BG6302 4.9 11.6 1.0
N A:GLY11 5.0 8.9 1.0
CA A:LEU9 5.0 9.1 1.0
CG A:ASP170 5.0 10.7 1.0

Fluorine binding site 2 out of 4 in 6i03

Go back to Fluorine Binding Sites List in 6i03
Fluorine binding site 2 out of 4 in the D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:12.6
occ:1.00
 F2 A:ALF301 0.0 12.6 1.0
AL A:ALF301 1.8 11.3 1.0
F4 A:ALF301 2.5 12.6 1.0
F3 A:ALF301 2.6 10.4 1.0
OD1 A:ASP8 2.6 10.5 1.0
N A:ALA115 2.6 11.6 1.0
NZ A:LYS145 2.7 9.8 0.5
O1 A:BG6302 2.7 11.0 1.0
NZ A:LYS145 2.9 9.4 0.5
CA A:SER114 2.9 11.6 1.0
OG A:SER114 3.1 10.8 1.0
C A:SER114 3.2 11.9 1.0
CB A:SER114 3.5 10.6 1.0
C1 A:BG6302 3.6 11.1 1.0
F1 A:ALF301 3.6 10.5 1.0
CE A:LYS145 3.6 9.6 0.5
CA A:ALA115 3.7 11.7 1.0
CB A:ALA115 3.7 14.6 1.0
CE A:LYS145 3.8 9.6 0.5
CG A:ASP8 3.8 10.3 1.0
O A:ALA113 3.8 13.9 1.0
N A:SER114 4.2 11.9 1.0
O5 A:BG6302 4.2 10.9 1.0
N A:SER116 4.2 11.4 1.0
CD A:LYS145 4.3 9.6 0.5
C A:ALA113 4.4 12.7 1.0
O A:SER114 4.5 12.9 1.0
C A:ALA115 4.5 11.4 1.0
N A:LEU9 4.5 8.8 1.0
OD2 A:ASP8 4.7 11.3 1.0
CD A:LYS145 4.7 10.0 0.5
CB A:ASP8 4.7 11.3 1.0
O A:HOH440 4.7 12.8 1.0
CA A:ASP8 4.7 10.2 1.0
ND2 A:ASN10 4.8 11.3 1.0
C2 A:BG6302 4.8 11.3 1.0
O2 A:BG6302 4.9 11.5 1.0
OE2 A:GLU169 4.9 15.7 1.0

Fluorine binding site 3 out of 4 in 6i03

Go back to Fluorine Binding Sites List in 6i03
Fluorine binding site 3 out of 4 in the D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:10.4
occ:1.00
 F3 A:ALF301 0.0 10.4 1.0
AL A:ALF301 1.8 11.3 1.0
O1 A:BG6302 2.5 11.0 1.0
F2 A:ALF301 2.6 12.6 1.0
OD1 A:ASP8 2.6 10.5 1.0
F1 A:ALF301 2.6 10.5 1.0
OG A:SER114 2.8 10.8 1.0
N A:ASN10 2.8 8.5 1.0
N A:LEU9 2.9 8.8 1.0
ND2 A:ASN10 3.0 11.3 1.0
CB A:LEU9 3.3 9.5 1.0
CA A:LEU9 3.4 9.1 1.0
CG A:ASP8 3.4 10.3 1.0
C A:LEU9 3.5 8.1 1.0
CB A:SER114 3.5 10.6 1.0
F4 A:ALF301 3.6 12.6 1.0
CG A:ASN10 3.6 10.0 1.0
OD2 A:ASP8 3.8 11.3 1.0
CB A:ASN10 3.8 9.8 1.0
CA A:ASN10 3.9 8.9 1.0
C1 A:BG6302 3.9 11.1 1.0
C A:ASP8 4.0 9.0 1.0
CA A:SER114 4.0 11.6 1.0
MG A:MG304 4.2 10.3 1.0
CA A:ASP8 4.3 10.2 1.0
CB A:ASP8 4.4 11.3 1.0
O A:ASN10 4.5 10.3 1.0
N A:ALA115 4.5 11.6 1.0
OD1 A:ASN10 4.5 10.9 1.0
O5 A:BG6302 4.6 10.9 1.0
C2 A:BG6302 4.7 11.3 1.0
C A:ASN10 4.7 8.9 1.0
CG A:LEU9 4.7 13.0 1.0
O2 A:BG6302 4.7 11.5 1.0
O A:LEU9 4.7 8.8 1.0
NZ A:LYS145 4.8 9.8 0.5
C A:SER114 4.8 11.9 1.0
NZ A:LYS145 4.8 9.4 0.5
CB A:SER116 4.9 10.4 1.0
O A:HOH440 4.9 12.8 1.0
N A:SER116 5.0 11.4 1.0

Fluorine binding site 4 out of 4 in 6i03

Go back to Fluorine Binding Sites List in 6i03
Fluorine binding site 4 out of 4 in the D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of D10N Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Tetrafluoroaluminate and Beta-G6P to 1.02 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:12.6
occ:1.00
 F4 A:ALF301 0.0 12.6 1.0
AL A:ALF301 1.8 11.3 1.0
F2 A:ALF301 2.5 12.6 1.0
F1 A:ALF301 2.5 10.5 1.0
O A:HOH440 2.6 12.8 1.0
OD1 A:ASP8 2.6 10.5 1.0
O1 A:BG6302 2.7 11.0 1.0
NZ A:LYS145 2.9 9.4 0.5
CA A:GLY46 3.0 13.1 1.0
C1 A:BG6302 3.1 11.1 1.0
O2 A:BG6302 3.2 11.5 1.0
NZ A:LYS145 3.2 9.8 0.5
CG A:ASP8 3.6 10.3 1.0
F3 A:ALF301 3.6 10.4 1.0
MG A:MG304 3.6 10.3 1.0
N A:GLY46 3.7 12.7 1.0
CE A:LYS145 3.8 9.6 0.5
C2 A:BG6302 3.8 11.3 1.0
OD2 A:ASP8 3.9 11.3 1.0
CD A:LYS145 3.9 10.0 0.5
C A:GLY46 3.9 12.1 1.0
O A:GLY46 4.0 14.9 1.0
OE2 A:GLU169 4.0 15.7 1.0
CD A:LYS145 4.0 9.6 0.5
CE A:LYS145 4.1 9.6 0.5
O5 A:BG6302 4.4 10.9 1.0
O A:HOH451 4.5 11.7 1.0
OE1 A:GLU169 4.5 15.6 1.0
CB A:ALA115 4.6 14.6 1.0
N A:ALA115 4.6 11.6 1.0
CD A:GLU169 4.7 15.0 1.0
OG A:SER171 4.7 15.3 1.0
CB A:ASP8 4.8 11.3 1.0
C3 A:BG6302 4.9 11.6 1.0
C A:LYS45 4.9 12.0 1.0

Reference:

A.J.Robertson, C.Bisson, J.P.Waltho. Proton Transfer Modulates the Electrostatic Environment in A General Acid-Base Catalyzed Phosphoryl Transfer Reaction To Be Published.
Page generated: Sun Dec 13 12:53:55 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy