Magnesium in PDB 4s1m: Crystal Structure of Pyridoxal Kinase From Entamoeba Histolytica

All present enzymatic activity of Crystal Structure of Pyridoxal Kinase From Entamoeba Histolytica:
2.7.1.35;

The structure of Crystal Structure of Pyridoxal Kinase From Entamoeba Histolytica, PDB code: 4s1m was solved by K.F.Tarique, S.Devi, S.A.Abdul Rehman, S.Gourinath, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.64
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.131, 91.111, 76.777, 90.00, 99.64, 90.00
R / Rfree (%)	17.4 / 19.8

The binding sites of Magnesium atom in the Crystal Structure of Pyridoxal Kinase From Entamoeba Histolytica (pdb code 4s1m). 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 Pyridoxal Kinase From Entamoeba Histolytica, PDB code: 4s1m:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Pyridoxal Kinase From Entamoeba Histolytica


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 Pyridoxal Kinase From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:22.0 occ:1.00 O A:HOH402 2.0 21.8 1.0 O A:HOH405 2.0 26.4 1.0 O A:HOH401 2.1 20.3 1.0 O A:HOH406 2.1 20.6 1.0 O A:HOH404 2.1 22.0 1.0 O A:HOH403 2.1 24.9 1.0 OD1 A:ASP218 3.9 22.8 1.0 O A:HOH431 3.9 26.4 1.0 OE2 A:GLU146 4.1 20.3 1.0 OD1 A:ASP111 4.1 18.9 1.0 OE1 A:GLU146 4.2 20.6 1.0 CA A:GLY217 4.3 19.8 1.0 OD2 A:ASP111 4.3 18.7 1.0 CG1 A:ILE113 4.3 19.8 1.0 ND2 A:ASN143 4.4 21.4 1.0 OH A:TYR121 4.4 42.0 1.0 C A:GLY217 4.5 18.1 1.0 CD A:GLU146 4.6 23.0 1.0 O A:THR214 4.6 29.4 1.0 CG A:ASP111 4.6 17.1 1.0 N A:ASP218 4.7 16.6 1.0 O A:HOH458 4.8 35.4 1.0 CG2 A:ILE113 4.8 20.7 1.0 CD1 A:ILE113 4.8 18.6 1.0 CB A:ILE113 5.0 19.9 1.0 N A:GLY217 5.0 20.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Pyridoxal Kinase From Entamoeba Histolytica


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 Pyridoxal Kinase From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:27.7 occ:1.00 O B:HOH403 2.0 22.8 1.0 O B:HOH529 2.0 30.0 1.0 O B:HOH480 2.0 27.8 1.0 O B:HOH402 2.1 25.6 1.0 O B:HOH401 2.1 24.7 1.0 O B:HOH530 2.3 30.0 1.0 O B:HOH455 4.0 31.2 1.0 OE2 B:GLU146 4.1 23.7 1.0 OD1 B:ASP111 4.1 20.0 1.0 OD1 B:ASP218 4.3 28.2 1.0 OD2 B:ASP111 4.3 23.8 1.0 OH B:TYR121 4.3 47.1 1.0 CA B:GLY217 4.3 23.4 1.0 OE1 B:GLU146 4.3 23.4 1.0 CG1 B:ILE113 4.3 24.3 1.0 ND2 B:ASN143 4.4 30.2 1.0 CG B:ASP111 4.6 20.8 1.0 CD B:GLU146 4.7 28.7 1.0 C B:GLY217 4.7 23.0 1.0 CD1 B:ILE113 4.8 26.1 1.0 N B:ASP218 4.9 20.8 1.0 CG2 B:ILE113 4.9 26.1 1.0 O B:HOH426 5.0 27.5 1.0

K.F.Tarique, S.Devi, S.A.Abdul Rehman, S.Gourinath. Crystal Structure of Pyridoxal Kinase From Entamoeba Histolytica To Be Published.