Magnesium in PDB 4s1h: Pyridoxal Kinase of Entamoeba Histolytica with Adp

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

The structure of Pyridoxal Kinase of Entamoeba Histolytica with Adp, PDB code: 4s1h 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 1
Cell size a, b, c (Å), α, β, γ (°)	44.256, 44.272, 75.246, 89.94, 102.89, 107.03
R / Rfree (%)	18.7 / 21.9

The binding sites of Magnesium atom in the Pyridoxal Kinase of Entamoeba Histolytica with Adp (pdb code 4s1h). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Pyridoxal Kinase of Entamoeba Histolytica with Adp, PDB code: 4s1h:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Pyridoxal Kinase of Entamoeba Histolytica with Adp


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 Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:21.9 occ:1.00 O A:HOH550 2.0 18.9 1.0 OD1 A:ASP111 2.0 21.1 1.0 O A:HOH554 2.1 21.7 1.0 O A:THR141 2.1 15.9 1.0 O A:HOH402 2.2 20.3 1.0 O A:HOH401 2.3 19.7 1.0 CG A:ASP111 3.0 21.9 1.0 C A:THR141 3.4 16.0 1.0 OD2 A:ASP111 3.4 19.9 1.0 OG1 A:THR141 3.6 19.9 1.0 O3B A:ADP301 3.9 24.9 1.0 CB A:THR141 4.0 17.4 1.0 OG1 A:THR221 4.2 21.3 1.0 CA A:PRO142 4.2 16.7 1.0 N A:PRO142 4.2 18.0 1.0 CA A:THR141 4.3 14.3 1.0 OE1 A:GLU146 4.3 20.5 1.0 CB A:ASP111 4.3 17.1 1.0 O A:GLY217 4.4 16.7 1.0 C A:PRO142 4.5 19.9 1.0 CD1 A:ILE113 4.5 27.6 1.0 CG2 A:THR179 4.5 14.9 1.0 OG1 A:THR179 4.5 18.7 1.0 O A:PRO112 4.6 33.8 1.0 N A:ASN143 4.6 16.5 1.0 CA A:GLY217 4.6 18.3 1.0 C A:GLY217 4.6 16.0 1.0 CA A:ASP111 4.7 15.6 1.0 O A:HOH543 4.8 36.0 1.0 O A:HOH471 4.9 26.0 1.0 C A:ASP111 4.9 17.8 1.0 CD A:PRO112 4.9 20.1 1.0

Magnesium binding site 2 out of 4 in the Pyridoxal Kinase of Entamoeba Histolytica with Adp


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 Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:26.2 occ:1.00 O2A A:ADP301 2.0 19.5 1.0 O A:HOH421 2.0 23.7 1.0 O1B A:ADP301 2.0 24.3 1.0 O A:HOH480 2.2 31.2 1.0 OD2 A:ASP116 2.2 24.9 1.0 PA A:ADP301 3.2 22.5 1.0 CG A:ASP116 3.2 33.9 1.0 PB A:ADP301 3.3 22.5 1.0 OD1 A:ASP116 3.5 29.6 1.0 O3A A:ADP301 3.6 21.5 1.0 O A:HOH454 3.9 32.7 1.0 O2B A:ADP301 3.9 23.9 1.0 O A:HOH542 4.0 38.6 1.0 O1A A:ADP301 4.0 20.9 1.0 OG A:SER180 4.2 29.7 1.0 ND2 A:ASN143 4.2 20.8 1.0 O A:HOH531 4.2 33.8 1.0 O5' A:ADP301 4.4 23.0 1.0 O3B A:ADP301 4.5 24.9 1.0 CB A:ASP116 4.5 32.1 1.0 OD1 A:ASP212 4.7 60.4 1.0 CG2 A:VAL216 4.9 26.1 1.0 CB A:ASN143 4.9 21.2 1.0

Magnesium binding site 3 out of 4 in the Pyridoxal Kinase of Entamoeba Histolytica with Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Pyridoxal Kinase of Entamoeba Histolytica with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:15.8 occ:1.00 O B:HOH545 2.0 16.1 1.0 O B:HOH548 2.0 14.0 1.0 OD1 B:ASP111 2.0 13.2 1.0 O B:THR141 2.1 12.6 1.0 O B:HOH490 2.2 15.8 1.0 O B:HOH551 2.2 18.1 1.0 CG B:ASP111 3.1 13.5 1.0 C B:THR141 3.3 12.9 1.0 OD2 B:ASP111 3.4 16.4 1.0 OG1 B:THR141 3.6 17.6 1.0 O3B B:ADP302 3.9 19.2 1.0 CB B:THR141 4.0 16.2 1.0 CA B:PRO142 4.1 13.3 1.0 N B:PRO142 4.2 14.4 1.0 OG1 B:THR221 4.2 25.4 1.0 CA B:THR141 4.3 13.4 1.0 O B:GLY217 4.3 15.5 1.0 OE1 B:GLU146 4.3 20.2 1.0 CB B:ASP111 4.4 13.2 1.0 C B:PRO142 4.4 14.2 1.0 CD1 B:ILE113 4.5 25.7 1.0 CG2 B:THR179 4.5 13.7 1.0 OG1 B:THR179 4.5 17.1 1.0 N B:ASN143 4.5 14.0 1.0 C B:GLY217 4.5 14.4 1.0 CA B:GLY217 4.5 17.1 1.0 O B:PRO112 4.6 28.6 1.0 CA B:ASP111 4.7 12.5 1.0 O B:HOH493 4.8 38.8 1.0 CD B:PRO112 4.9 17.2 1.0 O B:HOH452 4.9 27.2 1.0 C B:ASP111 4.9 15.6 1.0

Magnesium binding site 4 out of 4 in the Pyridoxal Kinase of Entamoeba Histolytica with Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Pyridoxal Kinase of Entamoeba Histolytica with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:18.9 occ:1.00 O1A B:ADP302 1.9 19.1 1.0 O1B B:ADP302 1.9 16.8 1.0 O B:HOH402 2.1 26.3 1.0 O B:HOH449 2.1 19.8 1.0 O B:HOH401 2.1 18.0 1.0 OD2 B:ASP116 2.2 25.4 1.0 PB B:ADP302 3.1 17.6 1.0 PA B:ADP302 3.2 17.1 1.0 CG B:ASP116 3.2 22.5 1.0 O3A B:ADP302 3.5 17.0 1.0 OD1 B:ASP116 3.6 23.7 1.0 O2B B:ADP302 3.7 19.8 1.0 O B:HOH417 3.9 22.0 1.0 O B:HOH486 4.0 37.1 1.0 O2A B:ADP302 4.1 19.2 1.0 ND2 B:ASN143 4.2 19.5 1.0 O B:HOH445 4.3 26.7 1.0 OG B:SER180 4.3 19.3 1.0 O3B B:ADP302 4.4 19.2 1.0 O5' B:ADP302 4.4 19.1 1.0 CB B:ASP116 4.5 22.2 1.0 CG2 B:VAL216 4.6 19.5 1.0 O B:PHE213 4.7 26.0 1.0 CB B:ASN143 4.9 15.7 1.0 CG B:ASN143 5.0 18.7 1.0

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