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Magnesium in PDB 5olx: 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form

Enzymatic activity of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form

All present enzymatic activity of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form:
5.4.2.6;

Protein crystallography data

The structure of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form, PDB code: 5olx 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) 20.00 / 1.38
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.530, 54.164, 104.225, 90.00, 90.00, 90.00
R / Rfree (%) 15.4 / 20.9

Other elements in 5olx:

The structure of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form also contains other interesting chemical elements:

Fluorine (F) 5 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form (pdb code 5olx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form, PDB code: 5olx:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 5olx

Go back to Magnesium Binding Sites List in 5olx
Magnesium binding site 1 out of 3 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:7.1
occ:1.00
 F1 A:MGF305 2.0 7.4 1.0
OD1 A:ASP170 2.1 6.0 1.0
OD2 A:ASP8 2.1 6.8 1.0
O A:HOH428 2.1 5.8 1.0
O A:HOH485 2.1 6.6 1.0
O A:ASP10 2.1 5.8 1.0
CG A:ASP170 3.0 5.9 1.0
CG A:ASP8 3.0 6.1 1.0
C A:ASP10 3.2 5.2 1.0
OD2 A:ASP170 3.3 6.7 1.0
OD1 A:ASP8 3.4 8.5 1.0
MG A:MGF304 3.5 8.0 1.0
O2 A:BG6302 3.8 8.0 1.0
CA A:ASP10 4.0 5.4 1.0
OE1 A:GLU169 4.1 9.8 1.0
N A:ASP10 4.1 5.9 1.0
CB A:ASP10 4.1 5.7 1.0
N A:GLY11 4.3 6.3 1.0
CB A:ASP170 4.4 6.7 1.0
CB A:ASP8 4.4 6.1 1.0
F1 A:MGF306 4.5 7.4 1.0
CA A:GLY11 4.6 6.0 1.0
N A:ASP170 4.6 6.6 1.0
O A:HOH541 4.6 8.2 1.0
OE2 A:GLU169 4.7 10.1 1.0
CD A:GLU169 4.7 7.9 1.0
F1 A:MGF307 4.7 11.1 1.0
O1 A:BG6302 4.7 7.4 1.0
OG A:SER171 4.8 8.4 1.0
CB A:SER171 4.8 7.8 1.0
N A:GLY46 4.8 7.1 1.0
CG2 A:VAL12 4.8 6.7 1.0
C A:LEU9 4.8 6.0 1.0
CA A:ASP170 4.9 6.0 1.0
C2 A:BG6302 4.9 7.0 1.0
C A:GLY11 5.0 5.7 1.0

Magnesium binding site 2 out of 3 in 5olx

Go back to Magnesium Binding Sites List in 5olx
Magnesium binding site 2 out of 3 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:22.1
occ:1.00
 O A:HOH497 1.9 22.2 1.0
O A:HOH684 2.0 21.7 1.0
O A:HOH641 2.1 32.1 1.0
O A:HOH660 2.2 29.6 1.0
O A:HOH586 2.4 20.2 1.0
O A:THR129 4.2 8.3 1.0
O A:HOH582 4.2 20.6 1.0
CA A:GLY130 4.2 7.4 1.0
O A:HOH408 4.3 14.6 1.0
O A:PHE132 4.6 12.5 1.0
O A:HOH677 4.7 30.5 1.0
C A:THR129 4.7 7.6 1.0
CG2 A:THR129 4.8 9.5 1.0
N A:GLY130 4.8 7.2 1.0
O A:GLY130 4.9 12.0 1.0
C A:GLY130 4.9 9.1 1.0

Magnesium binding site 3 out of 3 in 5olx

Go back to Magnesium Binding Sites List in 5olx
Magnesium binding site 3 out of 3 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:8.0
occ:1.00
 F1 A:MGF307 1.8 11.1 1.0
F1 A:MGF306 1.9 7.4 1.0
F1 A:MGF305 1.9 7.4 1.0
OD1 A:ASP8 2.1 8.5 1.0
O1 A:BG6302 2.1 7.4 1.0
CG A:ASP8 3.0 6.1 1.0
C1 A:BG6302 3.2 7.8 1.0
OD2 A:ASP8 3.4 6.8 1.0
MG A:MG301 3.5 7.1 1.0
O A:HOH485 3.6 6.6 1.0
O2 A:BG6302 3.6 8.0 1.0
NZ A:LYS145 3.7 8.5 1.0
OG A:SER114 3.8 7.5 1.0
N A:ASP10 3.9 5.9 1.0
OD2 A:ASP10 3.9 7.0 1.0
C2 A:BG6302 3.9 7.0 1.0
N A:ALA115 4.0 9.0 1.0
N A:LEU9 4.0 5.4 1.0
CA A:SER114 4.0 8.2 1.0
CB A:ASP10 4.2 5.7 1.0
O5 A:BG6302 4.3 7.3 1.0
CB A:SER114 4.3 8.4 1.0
CB A:ASP8 4.3 6.1 1.0
CG A:ASP10 4.4 5.9 1.0
O A:ASP10 4.4 5.8 1.0
CA A:ASP10 4.5 5.4 1.0
C A:SER114 4.6 8.5 1.0
CA A:ASP8 4.7 5.4 1.0
OE2 A:GLU169 4.7 10.1 1.0
CA A:GLY46 4.8 7.7 1.0
C A:LEU9 4.8 6.0 1.0
O A:HOH428 4.8 5.8 1.0
CA A:LEU9 4.8 6.5 1.0
C A:ASP8 4.8 6.0 1.0
CB A:ALA115 4.9 12.2 1.0
CA A:ALA115 4.9 10.0 1.0
C A:ASP10 5.0 5.2 1.0
N A:SER116 5.0 8.3 1.0
CE A:LYS145 5.0 9.1 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: Mon Sep 30 01:02:18 2024

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