Vanadium in PDB 2rar: 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: 2rar 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)	28.24 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.363, 56.476, 94.421, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 19

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:

Magnesium

(Mg)

1 atom

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

Vanadium 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 Vanadium with other atoms in the V 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:V601 b:15.5 occ:1.00 V A:VN4601 0.0 15.5 1.0 O1 A:VN4601 1.7 13.6 1.0 O2 A:VN4601 1.7 12.0 1.0 O3 A:VN4601 1.8 13.3 1.0 OD2 A:ASP8 2.0 11.9 1.0 CG A:ASP8 3.0 11.5 1.0 OD1 A:ASP8 3.4 12.3 1.0 MG A:MG501 3.5 14.3 1.0 O A:HOH606 3.7 14.4 1.0 O A:HOH739 3.7 21.3 1.0 NZ A:LYS188 3.7 11.8 1.0 OG1 A:THR43 3.8 10.6 1.0 N A:ALA10 3.8 11.6 1.0 N A:ILE9 3.9 11.5 1.0 N A:GLY44 4.0 10.8 1.0 CB A:TRP174 4.1 16.4 1.0 CA A:THR43 4.2 10.2 1.0 CG A:TRP174 4.3 17.6 1.0 CB A:ASP8 4.3 11.7 1.0 ND2 A:ASN214 4.3 14.3 1.0 CB A:ALA10 4.4 15.3 1.0 CB A:THR43 4.4 9.5 1.0 CD2 A:TRP174 4.5 17.7 1.0 O A:ALA10 4.5 14.2 1.0 C A:ILE9 4.5 11.6 1.0 CA A:ALA10 4.6 12.6 1.0 CA A:ILE9 4.6 10.7 1.0 CA A:ASP8 4.6 10.0 1.0 CE3 A:TRP174 4.7 19.8 1.0 OD1 A:ASN214 4.7 16.1 1.0 O A:ALA42 4.7 11.5 1.0 C A:ASP8 4.7 10.1 1.0 C A:THR43 4.7 10.6 1.0 CB A:ILE9 4.8 9.5 1.0 O A:HOH610 4.8 13.7 1.0 CD1 A:TRP174 4.8 17.3 1.0 CE A:LYS188 4.9 13.6 1.0 CG A:ASN214 5.0 15.1 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