Magnesium in PDB 4uat: Crystal Structure of Cbby (Mutant D10N) From Rhodobacter Sphaeroides in Complex with Xylulose-(1,5)Bisphosphate, Crystal Form I

The structure of Crystal Structure of Cbby (Mutant D10N) From Rhodobacter Sphaeroides in Complex with Xylulose-(1,5)Bisphosphate, Crystal Form I, PDB code: 4uat was solved by A.Bracher, A.Sharma, A.Starling-Windhof, F.U.Hartl, M.Hayer-Hartl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.419, 51.468, 122.083, 90.00, 94.06, 90.00
R / Rfree (%)	12.1 / 16.9

The binding sites of Magnesium atom in the Crystal Structure of Cbby (Mutant D10N) From Rhodobacter Sphaeroides in Complex with Xylulose-(1,5)Bisphosphate, Crystal Form I (pdb code 4uat). 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 Cbby (Mutant D10N) From Rhodobacter Sphaeroides in Complex with Xylulose-(1,5)Bisphosphate, Crystal Form I, PDB code: 4uat:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Cbby (Mutant D10N) From Rhodobacter Sphaeroides in Complex with Xylulose-(1,5)Bisphosphate, Crystal Form I


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 Cbby (Mutant D10N) From Rhodobacter Sphaeroides in Complex with Xylulose-(1,5)Bisphosphate, Crystal Form I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:7.8 occ:1.00 O2P A:XBP301 2.0 7.8 1.0 OD2 A:ASP8 2.0 8.8 1.0 O A:ASN10 2.1 7.9 1.0 O A:HOH526 2.1 9.2 1.0 OD1 A:ASP176 2.1 8.6 1.0 O A:HOH525 2.1 8.0 1.0 CG A:ASP8 2.9 8.7 1.0 CG A:ASP176 3.1 7.7 1.0 OD1 A:ASP8 3.2 9.5 1.0 C A:ASN10 3.3 6.7 1.0 P1 A:XBP301 3.4 9.6 1.0 OD2 A:ASP176 3.5 8.8 1.0 N A:ASN10 4.0 6.8 1.0 O1P A:XBP301 4.0 9.9 1.0 CA A:ASN10 4.0 6.3 1.0 OE1 A:GLU175 4.0 8.4 1.0 O A:HOH527 4.0 9.9 1.0 OG1 A:THR12 4.2 9.0 1.0 O3P A:XBP301 4.2 10.0 1.0 CB A:ASP8 4.2 9.7 1.0 CB A:ASN10 4.3 7.7 1.0 OG A:SER177 4.3 8.4 1.0 N A:GLY11 4.4 6.9 1.0 CB A:ASP176 4.4 7.9 1.0 O1 A:XBP301 4.4 12.8 1.0 O A:HOH535 4.5 12.6 1.0 C1 A:XBP301 4.6 11.1 1.0 O A:HOH620 4.6 11.9 0.5 C A:VAL9 4.7 6.4 1.0 CA A:GLY11 4.7 7.2 1.0 CB A:SER177 4.7 8.4 1.0 N A:ASP176 4.7 7.4 1.0 O A:HOH541 4.7 16.4 1.0 N A:VAL9 4.9 7.0 1.0 N A:THR12 4.9 7.5 1.0 N A:SER177 5.0 7.3 1.0 C A:GLY11 5.0 7.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Cbby (Mutant D10N) From Rhodobacter Sphaeroides in Complex with Xylulose-(1,5)Bisphosphate, Crystal Form I


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 Cbby (Mutant D10N) From Rhodobacter Sphaeroides in Complex with Xylulose-(1,5)Bisphosphate, Crystal Form I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:8.3 occ:1.00 O1P B:XBP301 2.0 9.3 1.0 OD2 B:ASP8 2.0 9.4 1.0 O B:HOH496 2.1 9.8 1.0 O B:ASN10 2.1 8.0 1.0 OD1 B:ASP176 2.1 8.9 1.0 O B:HOH493 2.1 8.3 1.0 CG B:ASP8 2.9 9.1 1.0 CG B:ASP176 3.1 8.9 1.0 OD1 B:ASP8 3.2 10.4 1.0 C B:ASN10 3.3 7.5 1.0 P1 B:XBP301 3.4 10.2 1.0 OD2 B:ASP176 3.5 10.8 1.0 N B:ASN10 4.0 8.6 1.0 CA B:ASN10 4.0 8.0 1.0 O B:HOH498 4.0 10.4 1.0 OE1 B:GLU175 4.0 7.8 1.0 O2P B:XBP301 4.1 10.3 1.0 O3P B:XBP301 4.2 11.2 1.0 OG1 B:THR12 4.2 9.9 1.0 CB B:ASP8 4.2 9.2 1.0 CB B:ASN10 4.3 9.6 1.0 OG B:SER177 4.3 9.0 1.0 N B:GLY11 4.4 8.8 1.0 CB B:ASP176 4.4 7.5 1.0 O B:HOH506 4.4 15.1 1.0 O1 B:XBP301 4.5 13.2 1.0 C1 B:XBP301 4.6 11.3 1.0 CA B:GLY11 4.6 9.9 1.0 C B:VAL9 4.7 7.9 1.0 N B:ASP176 4.7 7.3 1.0 CB B:SER177 4.7 9.5 1.0 N B:THR12 4.8 8.6 1.0 O B:HOH507 4.8 14.6 1.0 N B:VAL9 4.9 8.6 1.0 O B:HOH530 4.9 25.3 1.0 N B:SER177 5.0 8.2 1.0 C B:GLY11 5.0 8.7 1.0

A.Bracher, A.Sharma, A.Starling-Windhof, F.U.Hartl, M.Hayer-Hartl. Degradation of Potent Rubisco Inhibitor By Selective Sugar Phosphatase Nat.Plants 2015.
DOI: 10.1038/NPLANTS.2014.2