Magnesium in PDB 5a5l: Structure of Dual Function Fbpase Sbpase From Thermosynechococcus Elongatus

All present enzymatic activity of Structure of Dual Function Fbpase Sbpase From Thermosynechococcus Elongatus:
3.1.3.11; 3.1.3.37;

The structure of Structure of Dual Function Fbpase Sbpase From Thermosynechococcus Elongatus, PDB code: 5a5l was solved by C.A.R.Cotton, B.Kabasakal, N.Miah, J.W.Murray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.42 / 2.34
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	143.090, 143.090, 76.430, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 22.4

The binding sites of Magnesium atom in the Structure of Dual Function Fbpase Sbpase From Thermosynechococcus Elongatus (pdb code 5a5l). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure of Dual Function Fbpase Sbpase From Thermosynechococcus Elongatus, PDB code: 5a5l:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Structure of Dual Function Fbpase Sbpase From Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Dual Function Fbpase Sbpase From Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1340 b:81.1 occ:1.00 O A:HOH2062 2.1 69.2 1.0 O16 A:VTB1339 2.2 60.8 1.0 O1 A:PO41338 3.6 94.3 1.0 P15 A:VTB1339 3.7 48.4 1.0 O17 A:VTB1339 4.0 65.4 1.0 NH2 A:ARG176 4.1 47.6 1.0 OD1 A:ASP198 4.2 53.7 1.0 O4 A:VTB1339 4.3 56.1 1.0 C10 A:VTB1339 4.3 62.6 1.0 OE2 A:GLU255 4.4 93.8 1.0 C7 A:VTB1339 4.4 65.0 1.0 O12 A:VTB1339 4.5 57.0 1.0 P A:PO41338 4.7 88.0 1.0 O18 A:VTB1339 4.7 49.0 1.0 O2 A:PO41338 4.7 87.8 1.0 O4 A:PO41338 4.8 91.8 1.0

Magnesium binding site 2 out of 3 in the Structure of Dual Function Fbpase Sbpase From Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Dual Function Fbpase Sbpase From Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1341 b:67.3 occ:1.00 OE1 A:GLU57 2.5 50.9 1.0 OD2 A:ASP33 3.0 49.0 1.0 CD A:GLU57 3.3 53.0 1.0 OE2 A:GLU57 3.5 46.3 1.0 O A:HOH2033 3.5 52.9 1.0 O A:HOH2032 3.6 49.3 1.0 O3 A:PO41338 3.9 81.3 1.0 CG A:ASP33 3.9 46.1 1.0 O A:HOH2055 4.0 45.9 1.0 OD1 A:ASP33 4.1 39.8 1.0 O A:HOH2022 4.2 42.8 1.0 MG A:MG1342 4.6 58.0 1.0 CG A:GLU57 4.7 51.5 1.0 CA A:GLU57 4.7 47.1 1.0 O A:GLU57 4.8 53.9 1.0 CB A:GLU57 4.9 48.2 1.0

Magnesium binding site 3 out of 3 in the Structure of Dual Function Fbpase Sbpase From Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Dual Function Fbpase Sbpase From Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1342 b:58.0 occ:1.00 OE2 A:GLU225 2.0 52.4 1.0 O A:HOH2031 2.0 43.2 1.0 O A:HOH2055 2.1 45.9 1.0 O A:HOH2033 2.3 52.9 1.0 OD2 A:ASP97 2.3 49.9 1.0 O A:HOH2032 2.5 49.3 1.0 CD A:GLU225 3.1 49.6 1.0 CG A:ASP97 3.2 47.0 1.0 OD1 A:ASP97 3.4 42.3 1.0 O22 A:VTB1339 3.7 52.5 1.0 CG A:GLU225 3.8 40.7 1.0 O3 A:PO41338 4.0 81.3 1.0 O A:HOH2030 4.0 43.8 1.0 OE1 A:GLU225 4.2 50.1 1.0 O A:HOH2034 4.3 42.1 1.0 O A:HOH2022 4.3 42.8 1.0 CB A:ASP97 4.5 42.7 1.0 MG A:MG1341 4.6 67.3 1.0 OE2 A:GLU100 4.6 55.2 1.0 O A:HOH2039 4.7 55.5 1.0 C21 A:VTB1339 5.0 43.6 1.0

C.A.R.Cotton, B.Kabasakal, N.Miah, J.W.Murray. Structure of the Dual-Function Fructose-1,6/Sedoheptulose-1, 7-Bisphosphatase From Thermosynechococcus Elongatus Bound with Sedoheptulose-7-Phosphate. Acta Crystallogr.,Sect.F V. 71 1341 2015.
ISSN: ESSN 1744-3091
PubMed: 26457528
DOI: 10.1107/S2053230X15016829