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Fluorine in PDB 6hdk: R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A.

Enzymatic activity of R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A.

All present enzymatic activity of R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A.:
5.4.2.6;

Protein crystallography data

The structure of R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A., PDB code: 6hdk was solved by A.J.Robertson, C.Bisson, J.P.Waltho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.17 / 1.24
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.230, 54.290, 104.240, 90.00, 90.00, 90.00
R / Rfree (%) 13.6 / 16.7

Other elements in 6hdk:

The structure of R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A. also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Aluminium (Al) 1 atom
Sodium (Na) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A. (pdb code 6hdk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A., PDB code: 6hdk:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 6hdk

Go back to Fluorine Binding Sites List in 6hdk
Fluorine binding site 1 out of 4 in the R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:8.8
occ:1.00
F1 A:ALF301 0.0 8.8 1.0
AL A:ALF301 1.8 8.8 1.0
O1 A:BG6308 2.5 8.7 1.0
F4 A:ALF301 2.5 9.5 1.0
F3 A:ALF301 2.6 8.5 1.0
OD1 A:ASP8 2.6 8.6 1.0
N A:ASP10 2.8 8.3 1.0
OG A:SER114 2.8 9.7 1.0
N A:LEU9 2.9 8.1 1.0
OD2 A:ASP10 3.2 10.3 1.0
CB A:LEU9 3.4 9.8 1.0
CA A:LEU9 3.4 8.2 1.0
CG A:ASP8 3.4 8.5 1.0
C A:LEU9 3.5 8.6 1.0
F2 A:ALF301 3.5 9.3 1.0
CG A:ASP10 3.5 8.2 1.0
CB A:SER114 3.6 9.7 1.0
CB A:ASP10 3.8 8.3 1.0
OD2 A:ASP8 3.8 9.1 1.0
CA A:ASP10 3.9 8.1 1.0
C1 A:BG6308 3.9 8.8 1.0
C A:ASP8 4.1 8.2 1.0
CA A:SER114 4.1 9.8 1.0
MG A:MG307 4.2 8.9 1.0
OD1 A:ASP10 4.3 9.5 1.0
CA A:ASP8 4.4 8.0 1.0
CB A:ASP8 4.5 9.0 1.0
O A:ASP10 4.5 9.2 1.0
O5 A:BG6308 4.6 9.2 1.0
N A:ALA115 4.6 9.3 1.0
C2 A:BG6308 4.7 8.7 1.0
C A:ASP10 4.7 8.5 1.0
O2 A:BG6308 4.7 8.9 1.0
O A:LEU9 4.7 9.4 1.0
CG A:LEU9 4.7 12.9 1.0
NZ A:LYS145 4.8 10.9 1.0
CB A:SER116 4.9 9.9 1.0
C A:SER114 4.9 9.9 1.0
O A:HOH425 4.9 9.7 1.0

Fluorine binding site 2 out of 4 in 6hdk

Go back to Fluorine Binding Sites List in 6hdk
Fluorine binding site 2 out of 4 in the R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:9.3
occ:1.00
F2 A:ALF301 0.0 9.3 1.0
AL A:ALF301 1.8 8.8 1.0
F4 A:ALF301 2.4 9.5 1.0
F3 A:ALF301 2.5 8.5 1.0
O A:HOH425 2.6 9.7 1.0
OD1 A:ASP8 2.7 8.6 1.0
O1 A:BG6308 2.7 8.7 1.0
C1 A:BG6308 3.1 8.8 1.0
NZ A:LYS145 3.1 10.9 1.0
CA A:GLY46 3.1 9.8 1.0
O2 A:BG6308 3.2 8.9 1.0
F1 A:ALF301 3.5 8.8 1.0
CG A:ASP8 3.6 8.5 1.0
MG A:MG307 3.6 8.9 1.0
C2 A:BG6308 3.7 8.7 1.0
N A:GLY46 3.8 9.2 1.0
O A:GLY46 3.9 14.3 1.0
OD2 A:ASP8 3.9 9.1 1.0
C A:GLY46 3.9 10.3 1.0
OE2 A:GLU169 4.0 12.8 1.0
CD A:LYS145 4.0 13.3 1.0
CE A:LYS145 4.0 12.1 1.0
O5 A:BG6308 4.3 9.2 1.0
O A:HOH449 4.5 9.9 1.0
OE1 A:GLU169 4.5 14.0 1.0
CB A:ALA115 4.6 13.6 1.0
CD A:GLU169 4.7 12.5 1.0
N A:ALA115 4.7 9.3 1.0
C3 A:BG6308 4.8 9.4 1.0
CB A:ASP8 4.8 9.0 1.0
OG A:SER171 4.8 13.1 1.0

Fluorine binding site 3 out of 4 in 6hdk

Go back to Fluorine Binding Sites List in 6hdk
Fluorine binding site 3 out of 4 in the R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:8.5
occ:1.00
F3 A:ALF301 0.0 8.5 1.0
AL A:ALF301 1.8 8.8 1.0
MG A:MG307 2.0 8.9 1.0
F2 A:ALF301 2.5 9.3 1.0
F1 A:ALF301 2.6 8.8 1.0
O1 A:BG6308 2.6 8.7 1.0
OD1 A:ASP8 2.7 8.6 1.0
OD2 A:ASP8 2.8 9.1 1.0
O A:HOH425 2.8 9.7 1.0
O2 A:BG6308 2.8 8.9 1.0
O A:ASP10 2.9 9.2 1.0
O A:HOH449 3.0 9.9 1.0
CG A:ASP8 3.1 8.5 1.0
CB A:ASP10 3.2 8.3 1.0
N A:ASP10 3.3 8.3 1.0
C1 A:BG6308 3.5 8.8 1.0
C2 A:BG6308 3.5 8.7 1.0
CA A:ASP10 3.5 8.1 1.0
F4 A:ALF301 3.6 9.5 1.0
C A:ASP10 3.6 8.5 1.0
OD2 A:ASP10 3.6 10.3 1.0
CG A:ASP10 3.8 8.2 1.0
OD1 A:ASP170 4.0 8.9 1.0
C A:LEU9 4.3 8.6 1.0
N A:LEU9 4.4 8.1 1.0
O A:HOH512 4.5 10.9 1.0
CB A:ASP8 4.6 9.0 1.0
O5 A:BG6308 4.7 9.2 1.0
N A:GLY46 4.8 9.2 1.0
CA A:GLY46 4.8 9.8 1.0
CA A:LEU9 4.9 8.2 1.0
N A:GLY11 4.9 8.2 1.0
C3 A:BG6308 4.9 9.4 1.0
CG A:ASP170 5.0 9.3 1.0
NZ A:LYS145 5.0 10.9 1.0
OD1 A:ASP10 5.0 9.5 1.0

Fluorine binding site 4 out of 4 in 6hdk

Go back to Fluorine Binding Sites List in 6hdk
Fluorine binding site 4 out of 4 in the R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of R49A Variant of Beta-Phosphoglucomutase From Lactococcus Lactis Complexed with Aluminium Tetrafluoride and Beta-G6P to 1.2 A. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:9.5
occ:1.00
F4 A:ALF301 0.0 9.5 1.0
AL A:ALF301 1.8 8.8 1.0
F2 A:ALF301 2.4 9.3 1.0
F1 A:ALF301 2.5 8.8 1.0
OD1 A:ASP8 2.6 8.6 1.0
N A:ALA115 2.7 9.3 1.0
O1 A:BG6308 2.7 8.7 1.0
NZ A:LYS145 2.8 10.9 1.0
CA A:SER114 3.0 9.8 1.0
OG A:SER114 3.0 9.7 1.0
C A:SER114 3.3 9.9 1.0
CB A:SER114 3.5 9.7 1.0
C1 A:BG6308 3.5 8.8 1.0
F3 A:ALF301 3.6 8.5 1.0
CE A:LYS145 3.7 12.1 1.0
CB A:ALA115 3.7 13.6 1.0
CA A:ALA115 3.7 10.8 1.0
CG A:ASP8 3.8 8.5 1.0
O A:ALA113 3.9 11.4 1.0
N A:SER114 4.2 9.9 1.0
O5 A:BG6308 4.2 9.2 1.0
N A:SER116 4.2 9.3 1.0
CD A:LYS145 4.5 13.3 1.0
C A:ALA113 4.5 10.3 1.0
C A:ALA115 4.5 10.5 1.0
O A:SER114 4.5 11.2 1.0
N A:LEU9 4.5 8.1 1.0
OD2 A:ASP8 4.7 9.1 1.0
CB A:ASP8 4.7 9.0 1.0
O A:HOH425 4.7 9.7 1.0
CA A:ASP8 4.8 8.0 1.0
C2 A:BG6308 4.8 8.7 1.0
OD2 A:ASP10 4.8 10.3 1.0
OE2 A:GLU169 4.8 12.8 1.0
O2 A:BG6308 4.9 8.9 1.0

Reference:

A.J.Robertson, C.Bisson, J.P.Waltho. Transition State of Phospho-Enzyme Hydrolysis in Beta-Phosphoglucomutase. To Be Published.
Page generated: Sun Dec 13 12:52:41 2020

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