Magnesium in PDB 4s1i: Pyridoxal Kinase of Entamoeba Histolytica with Plp

All present enzymatic activity of Pyridoxal Kinase of Entamoeba Histolytica with Plp:
2.7.1.35;

The structure of Pyridoxal Kinase of Entamoeba Histolytica with Plp, PDB code: 4s1i 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 / 1.60
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	78.173, 79.014, 90.697, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 22.5

The binding sites of Magnesium atom in the Pyridoxal Kinase of Entamoeba Histolytica with Plp (pdb code 4s1i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Pyridoxal Kinase of Entamoeba Histolytica with Plp, PDB code: 4s1i:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Pyridoxal Kinase of Entamoeba Histolytica with Plp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pyridoxal Kinase of Entamoeba Histolytica with Plp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:26.6 occ:1.00 O A:HOH493 2.0 29.3 1.0 O A:HOH509 2.0 25.8 1.0 O A:HOH403 2.0 30.5 1.0 O A:HOH510 2.1 30.0 1.0 O A:HOH402 2.2 33.1 1.0 O A:HOH508 2.2 34.7 1.0 O A:HOH401 4.0 30.6 1.0 OE2 A:GLU146 4.1 25.7 1.0 OD1 A:ASP111 4.1 23.6 1.0 OE1 A:GLU146 4.1 25.6 1.0 OH A:TYR121 4.2 32.7 1.0 OD2 A:ASP111 4.2 26.3 1.0 ND2 A:ASN143 4.3 28.7 1.0 OD1 A:ASP218 4.4 31.7 1.0 CG1 A:ILE113 4.4 22.5 1.0 CA A:GLY217 4.5 23.6 1.0 O A:HOH422 4.5 28.7 1.0 CD A:GLU146 4.5 27.0 1.0 CG A:ASP111 4.6 25.1 1.0 C A:GLY217 4.7 24.0 1.0 N A:ASP218 4.9 22.7 1.0 CG2 A:ILE113 4.9 24.5 1.0 O A:HOH441 4.9 32.7 1.0 CD1 A:ILE113 5.0 24.1 1.0

Magnesium binding site 2 out of 2 in the Pyridoxal Kinase of Entamoeba Histolytica with Plp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pyridoxal Kinase of Entamoeba Histolytica with Plp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:25.6 occ:1.00 O B:HOH401 1.9 29.4 1.0 O B:HOH545 2.0 29.1 1.0 O B:HOH547 2.1 30.7 1.0 O B:HOH530 2.1 38.5 1.0 O B:HOH549 2.1 30.0 1.0 O B:HOH550 2.2 30.0 1.0 OE2 B:GLU146 4.0 26.2 1.0 O B:HOH484 4.1 29.4 1.0 OH B:TYR121 4.1 34.0 1.0 OE1 B:GLU146 4.2 25.6 1.0 OD1 B:ASP111 4.2 25.8 1.0 ND2 B:ASN143 4.2 30.5 1.0 CG1 B:ILE113 4.3 23.7 1.0 OD2 B:ASP111 4.4 26.2 1.0 CA B:GLY217 4.4 24.1 1.0 OD1 B:ASP218 4.6 33.2 1.0 O B:HOH429 4.6 29.8 1.0 CD B:GLU146 4.6 30.5 1.0 C B:GLY217 4.7 23.1 1.0 CG B:ASP111 4.7 25.4 1.0 CG2 B:ILE113 4.8 26.6 1.0 O B:HOH434 4.9 29.5 1.0 CD1 B:ILE113 5.0 23.3 1.0 CB B:ILE113 5.0 21.5 1.0

K.F.Tarique, S.Devi, S.A.Abdul Rehman, S.Gourinath. Pyridoxal Kinase of Entamoeba Histolytica with Plp To Be Published.