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Magnesium in PDB 4he1: Crystal Structure of Human Muscle Fructose-1,6-Bisphosphatase Q32R Mutant Complex with Fructose-6-Phosphate and Phosphate

Enzymatic activity of Crystal Structure of Human Muscle Fructose-1,6-Bisphosphatase Q32R Mutant Complex with Fructose-6-Phosphate and Phosphate

All present enzymatic activity of Crystal Structure of Human Muscle Fructose-1,6-Bisphosphatase Q32R Mutant Complex with Fructose-6-Phosphate and Phosphate:
3.1.3.11;

Protein crystallography data

The structure of Crystal Structure of Human Muscle Fructose-1,6-Bisphosphatase Q32R Mutant Complex with Fructose-6-Phosphate and Phosphate, PDB code: 4he1 was solved by R.Shi, D.W.Zhu, S.X.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.23
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 73.818, 73.818, 146.575, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 21.1

Other elements in 4he1:

The structure of Crystal Structure of Human Muscle Fructose-1,6-Bisphosphatase Q32R Mutant Complex with Fructose-6-Phosphate and Phosphate also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Muscle Fructose-1,6-Bisphosphatase Q32R Mutant Complex with Fructose-6-Phosphate and Phosphate (pdb code 4he1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human Muscle Fructose-1,6-Bisphosphatase Q32R Mutant Complex with Fructose-6-Phosphate and Phosphate, PDB code: 4he1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4he1

Go back to Magnesium Binding Sites List in 4he1
Magnesium binding site 1 out of 2 in the Crystal Structure of Human Muscle Fructose-1,6-Bisphosphatase Q32R Mutant Complex with Fructose-6-Phosphate and Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Muscle Fructose-1,6-Bisphosphatase Q32R Mutant Complex with Fructose-6-Phosphate and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:33.1
occ:1.00
 OD2 A:ASP118 2.1 25.4 1.0
OD1 A:ASP121 2.1 31.1 1.0
OE2 A:GLU280 2.1 24.8 1.0
O3 A:PO4402 2.1 31.5 1.0
OE2 A:GLU97 2.2 34.5 1.0
O1 A:PO4402 2.3 31.4 1.0
P A:PO4402 2.7 38.6 1.0
CD A:GLU97 3.1 33.2 1.0
CG A:ASP118 3.1 21.9 1.0
MG A:MG404 3.2 41.8 1.0
CG A:ASP121 3.2 32.1 1.0
OE1 A:GLU97 3.2 34.5 1.0
CD A:GLU280 3.3 21.8 1.0
OD1 A:ASP118 3.4 21.1 1.0
O4 A:PO4402 3.7 33.0 1.0
CB A:ASP121 3.9 30.2 1.0
O2 A:PO4402 3.9 37.3 1.0
CG A:GLU280 4.0 20.8 1.0
C1 A:F6P401 4.0 43.6 1.0
O A:HOH624 4.2 28.8 1.0
CA A:ASP121 4.2 30.9 1.0
OD2 A:ASP121 4.3 33.0 1.0
OE1 A:GLU280 4.3 21.6 1.0
CB A:ASP118 4.4 21.4 1.0
O A:HOH567 4.4 36.0 1.0
CG A:GLU97 4.4 30.2 1.0
O1 A:F6P401 4.5 44.2 1.0
O A:LEU120 4.7 29.3 1.0
O A:HOH565 4.8 37.9 1.0

Magnesium binding site 2 out of 2 in 4he1

Go back to Magnesium Binding Sites List in 4he1
Magnesium binding site 2 out of 2 in the Crystal Structure of Human Muscle Fructose-1,6-Bisphosphatase Q32R Mutant Complex with Fructose-6-Phosphate and Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human Muscle Fructose-1,6-Bisphosphatase Q32R Mutant Complex with Fructose-6-Phosphate and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg404

b:41.8
occ:1.00
 O1 A:PO4402 1.7 31.4 1.0
O A:HOH564 2.0 29.9 1.0
OE1 A:GLU97 2.1 34.5 1.0
O A:LEU120 2.3 29.3 1.0
OD1 A:ASP118 2.3 21.1 1.0
O A:HOH565 2.3 37.9 1.0
CD A:GLU97 3.1 33.2 1.0
P A:PO4402 3.1 38.6 1.0
MG A:MG403 3.2 33.1 1.0
CG A:ASP118 3.2 21.9 1.0
C A:LEU120 3.3 28.5 1.0
OD2 A:ASP118 3.4 25.4 1.0
O2 A:PO4402 3.5 37.3 1.0
OE2 A:GLU97 3.5 34.5 1.0
O A:HOH566 3.7 37.2 1.0
CA A:ASP121 3.8 30.9 1.0
OE2 A:GLU98 3.8 38.0 1.0
N A:ASP121 3.9 29.4 1.0
O3 A:PO4402 3.9 31.5 1.0
OD1 A:ASP74 4.1 49.4 1.0
N A:LEU120 4.2 25.7 1.0
O4 A:PO4402 4.2 33.0 1.0
OD1 A:ASP121 4.2 31.1 1.0
CG A:GLU97 4.3 30.2 1.0
CA A:LEU120 4.3 27.5 1.0
CB A:ASP121 4.4 30.2 1.0
CB A:GLU97 4.6 28.2 1.0
CB A:ASP118 4.6 21.4 1.0
CD A:PRO119 4.7 23.0 1.0
CG A:ASP121 4.8 32.1 1.0
N A:PRO119 4.9 22.6 1.0
C A:ASP118 4.9 21.9 1.0
CA A:ASP118 4.9 21.5 1.0
CB A:LEU120 5.0 27.7 1.0
C A:ASP121 5.0 32.0 1.0

Reference:

R.Shi, Z.Y.Chen, D.W.Zhu, C.Li, Y.Shan, G.Xu, S.X.Lin. Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced Amp Affinity, and Allosteric Signal Transmission Pathway. Plos One V. 8 71242 2013.
ISSN: ESSN 1932-6203
PubMed: 24086250
DOI: 10.1371/JOURNAL.PONE.0071242
Page generated: Fri Aug 16 16:16:28 2024

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