Magnesium in PDB 2rav: X-Ray Crystallographic Structures Show Conservation of A Trigonal- Bipyramidal Intermediate in A Phosphoryl-Transfer Superfamily.

The structure of X-Ray Crystallographic Structures Show Conservation of A Trigonal- Bipyramidal Intermediate in A Phosphoryl-Transfer Superfamily., PDB code: 2rav was solved by Z.Lu, D.Dunaway-Mariano, K.N.Allen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.07
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.526, 56.339, 93.770, 90.00, 90.00, 90.00
R / Rfree (%)	11.7 / 14.9

The structure of X-Ray Crystallographic Structures Show Conservation of A Trigonal- Bipyramidal Intermediate in A Phosphoryl-Transfer Superfamily. also contains other interesting chemical elements:

Tungsten

(W)

1 atom

The binding sites of Magnesium atom in the X-Ray Crystallographic Structures Show Conservation of A Trigonal- Bipyramidal Intermediate in A Phosphoryl-Transfer Superfamily. (pdb code 2rav). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the X-Ray Crystallographic Structures Show Conservation of A Trigonal- Bipyramidal Intermediate in A Phosphoryl-Transfer Superfamily., PDB code: 2rav:

Magnesium binding site 1 out of 1 in the X-Ray Crystallographic Structures Show Conservation of A Trigonal- Bipyramidal Intermediate in A Phosphoryl-Transfer Superfamily.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Crystallographic Structures Show Conservation of A Trigonal- Bipyramidal Intermediate in A Phosphoryl-Transfer Superfamily. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:10.7 occ:1.00 OD2 A:ASP8 2.0 11.0 1.0 O2 A:WO6801 2.0 10.5 1.0 O A:HOH805 2.1 12.4 1.0 OD1 A:ASP211 2.1 11.5 1.0 O A:HOH1030 2.1 11.7 1.0 O A:ALA10 2.1 11.5 1.0 CG A:ASP8 3.0 10.0 1.0 CG A:ASP211 3.1 11.1 1.0 C A:ALA10 3.3 10.5 1.0 OD1 A:ASP8 3.4 10.9 1.0 OD2 A:ASP211 3.5 12.8 1.0 W A:WO6801 3.7 11.3 1.0 CA A:ALA10 4.0 11.3 1.0 OD2 A:ASP215 4.0 11.0 1.0 CB A:ALA10 4.1 12.1 1.0 N A:ALA10 4.1 10.7 1.0 OG1 A:THR12 4.2 10.8 1.0 CB A:ASP8 4.3 9.7 1.0 N A:GLY11 4.3 11.2 1.0 CB A:ASP211 4.4 11.6 1.0 O4 A:WO6801 4.5 10.9 1.0 N A:GLY212 4.5 11.5 1.0 O1 A:WO6801 4.5 10.2 1.0 N A:ASP211 4.6 10.2 1.0 CA A:GLY11 4.6 11.3 1.0 O3 A:WO6801 4.8 12.7 1.0 C A:ILE9 4.8 10.6 1.0 OD1 A:ASN214 4.8 12.5 1.0 CD2 A:TRP174 4.8 21.9 1.0 CA A:ASP211 4.8 10.6 1.0 CG A:TRP174 4.8 17.9 1.0 C A:ASP211 4.8 10.6 1.0 CA A:GLY212 4.8 12.0 1.0 C A:GLY11 4.9 10.8 1.0 N A:THR12 4.9 10.2 1.0 CE2 A:TRP174 4.9 22.9 1.0 CD1 A:TRP174 4.9 20.2 1.0 CG A:ASP215 5.0 10.8 1.0

Z.Lu, D.Dunaway-Mariano, K.N.Allen. The Catalytic Scaffold of the Haloalkanoic Acid Dehalogenase Enzyme Superfamily Acts As A Mold For the Trigonal Bipyramidal Transition State. Proc.Natl.Acad.Sci.Usa V. 105 5687 2008.
ISSN: ISSN 0027-8424
PubMed: 18398008
DOI: 10.1073/PNAS.0710800105