Magnesium in PDB 3r4c: Divergence of Structure and Function Among Phosphatases of the Haloalkanoate (Had) Enzyme Superfamily: Analysis of BT1666 From Bacteroides Thetaiotaomicron

The structure of Divergence of Structure and Function Among Phosphatases of the Haloalkanoate (Had) Enzyme Superfamily: Analysis of BT1666 From Bacteroides Thetaiotaomicron, PDB code: 3r4c was solved by K.N.Allen, Z.Lu, D.Dunaway-Mariano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.11 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.765, 70.666, 72.426, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19.8

The binding sites of Magnesium atom in the Divergence of Structure and Function Among Phosphatases of the Haloalkanoate (Had) Enzyme Superfamily: Analysis of BT1666 From Bacteroides Thetaiotaomicron (pdb code 3r4c). 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 Divergence of Structure and Function Among Phosphatases of the Haloalkanoate (Had) Enzyme Superfamily: Analysis of BT1666 From Bacteroides Thetaiotaomicron, PDB code: 3r4c:

Magnesium binding site 1 out of 1 in the Divergence of Structure and Function Among Phosphatases of the Haloalkanoate (Had) Enzyme Superfamily: Analysis of BT1666 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Divergence of Structure and Function Among Phosphatases of the Haloalkanoate (Had) Enzyme Superfamily: Analysis of BT1666 From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg259 b:8.1 occ:1.00 O A:HOH350 2.3 13.6 1.0 O A:ASP10 2.3 20.2 1.0 O1 A:SO4260 2.4 20.6 1.0 OD1 A:ASP208 2.4 18.2 1.0 O A:HOH340 2.4 15.5 1.0 OD2 A:ASP8 2.4 20.7 1.0 OD1 A:ASP8 2.6 17.2 1.0 CG A:ASP8 2.8 18.4 1.0 CG A:ASP208 3.4 19.4 1.0 C A:ASP10 3.5 17.4 1.0 S A:SO4260 3.6 22.2 1.0 OD2 A:ASP208 3.8 19.2 1.0 O2 A:SO4260 3.9 23.2 1.0 OD2 A:ASP212 4.0 18.2 1.0 O4 A:SO4260 4.0 21.0 1.0 N A:ASP10 4.1 15.6 1.0 CA A:ASP10 4.2 17.5 1.0 CB A:ASP8 4.3 16.6 1.0 CB A:ASP10 4.4 19.3 1.0 N A:GLY209 4.6 16.5 1.0 N A:GLY11 4.6 16.9 1.0 N A:ASP208 4.6 16.0 1.0 CB A:ASP208 4.6 16.4 1.0 C A:VAL9 4.7 15.7 1.0 O3 A:SO4260 4.7 23.9 1.0 N A:VAL9 4.8 16.9 1.0 OG1 A:THR12 4.8 16.2 1.0 O A:HOH416 4.8 23.1 1.0 CA A:GLY209 4.8 18.4 1.0 OD1 A:ASN211 4.8 19.3 1.0 CA A:GLY11 4.9 17.3 1.0 NZ A:LYS185 4.9 15.1 1.0 C A:ASP208 4.9 19.2 1.0 CG A:ASP212 4.9 18.5 1.0 CA A:ASP208 5.0 18.1 1.0

Z.Lu, D.Dunaway-Mariano, K.N.Allen. The X-Ray Crystallographic Structure and Specificity Profile of Had Superfamily Phosphohydrolase BT1666: Comparison of Paralogous Functions in B. Thetaiotaomicron. Proteins V. 79 3099 2011.
ISSN: ISSN 0887-3585
PubMed: 21989931
DOI: 10.1002/PROT.23137