Magnesium in PDB 1mru: Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb.

The structure of Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb., PDB code: 1mru was solved by T.A.Young, B.Delagoutte, J.A.Endrizzi, T.Alber, Tb Structural Genomicsconsortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.68 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.100, 50.170, 111.070, 90.00, 96.19, 90.00
R / Rfree (%)	23.2 / 29.7

The binding sites of Magnesium atom in the Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb. (pdb code 1mru). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb., PDB code: 1mru:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg341 b:67.6 occ:1.00 O2B A:AGS340 2.5 66.0 1.0 OD1 A:ASP156 2.8 59.6 1.0 OD2 A:ASP156 2.8 60.7 1.0 CG A:ASP156 3.1 58.7 1.0 O3G A:AGS340 3.5 71.0 1.0 O2G A:AGS340 3.8 69.6 1.0 CA A:GLY158 3.8 53.1 1.0 N A:GLY158 4.0 53.7 1.0 PB A:AGS340 4.1 66.5 1.0 NZ A:LYS40 4.1 48.9 1.0 PG A:AGS340 4.2 71.9 1.0 CD1 A:ILE159 4.3 54.7 1.0 CB A:ASP156 4.6 56.4 1.0 O3B A:AGS340 4.6 68.7 1.0 OE1 A:GLU59 4.6 59.0 1.0 SD A:MET22 4.7 72.0 1.0 O2A A:AGS340 4.7 57.0 1.0 C A:GLY158 4.7 53.7 1.0 OE2 A:GLU59 4.8 57.8 1.0 CD A:GLU59 4.9 57.6 1.0 O1B A:AGS340 4.9 67.8 1.0 O1A A:AGS340 4.9 56.3 1.0

Magnesium binding site 2 out of 4 in the Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg342 b:50.4 occ:1.00 O2A A:AGS340 3.0 57.0 1.0 O3' A:AGS340 3.4 47.6 1.0 O2G A:AGS340 3.5 69.6 1.0 O A:ALA142 3.8 48.3 1.0 OD1 A:ASN143 3.9 42.7 1.0 PA A:AGS340 3.9 56.5 1.0 C5' A:AGS340 3.9 51.6 1.0 O5' A:AGS340 4.0 54.2 1.0 CB A:ALA142 4.1 48.0 1.0 O3A A:AGS340 4.2 62.0 1.0 O3B A:AGS340 4.3 68.7 1.0 PG A:AGS340 4.3 71.9 1.0 NH2 A:ARG101 4.3 60.0 1.0 C3' A:AGS340 4.3 48.7 1.0 S1G A:AGS340 4.4 73.7 1.0 C A:ALA142 4.5 47.3 1.0 C4' A:AGS340 4.6 48.2 1.0 CE A:MET155 4.7 49.9 1.0 OD2 A:ASP156 4.7 60.7 1.0 CA A:ALA142 4.9 47.2 1.0 CG A:ASN143 4.9 44.5 1.0 PB A:AGS340 5.0 66.5 1.0

Magnesium binding site 3 out of 4 in the Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg441 b:58.4 occ:1.00 O3G B:AGS440 2.4 50.5 1.0 OD2 B:ASP156 2.5 49.2 1.0 O2B B:AGS440 2.9 49.3 1.0 OD1 B:ASP156 3.0 46.6 1.0 CG B:ASP156 3.0 47.8 1.0 CA B:GLY158 3.6 45.5 1.0 PG B:AGS440 3.8 51.9 1.0 N B:GLY158 3.9 44.0 1.0 OD2 B:ASP138 4.1 52.5 1.0 PB B:AGS440 4.2 50.2 1.0 C B:GLY158 4.3 45.4 1.0 CB B:ASP156 4.4 46.8 1.0 O2G B:AGS440 4.4 51.0 1.0 O3B B:AGS440 4.4 50.1 1.0 CG1 B:ILE159 4.5 43.8 1.0 N B:ILE159 4.6 45.5 1.0 NZ B:LYS40 4.6 36.8 1.0 CD1 B:ILE159 4.7 44.0 1.0 O B:ASP156 4.8 45.5 1.0 SD B:MET22 4.9 68.5 1.0 O B:GLY158 4.9 45.3 1.0 C B:ASP156 5.0 46.1 1.0 O1B B:AGS440 5.0 49.1 1.0

Magnesium binding site 4 out of 4 in the Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Intracellular Ser/Thr Protein Kinase Domain of Mycobacterium Tuberculosis Pknb. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg442 b:92.8 occ:1.00 O2A B:AGS440 2.7 49.2 1.0 O2G B:AGS440 2.8 51.0 1.0 OD1 B:ASN143 3.1 43.3 1.0 O3' B:AGS440 3.3 50.1 1.0 O B:ALA142 3.3 41.8 1.0 C5' B:AGS440 3.4 47.4 1.0 PA B:AGS440 3.7 45.8 1.0 O5' B:AGS440 3.8 46.5 1.0 CB B:ALA142 3.9 45.8 1.0 O3A B:AGS440 4.0 49.1 1.0 C B:ALA142 4.0 43.8 1.0 C3' B:AGS440 4.0 48.4 1.0 O3B B:AGS440 4.1 50.1 1.0 PG B:AGS440 4.1 51.9 1.0 CG B:ASN143 4.2 44.1 1.0 C4' B:AGS440 4.2 46.9 1.0 CE B:LYS140 4.5 43.6 1.0 CA B:ALA142 4.6 44.7 1.0 CE B:MET155 4.7 47.8 1.0 PB B:AGS440 4.8 50.2 1.0 NZ B:LYS140 4.8 45.7 1.0 N B:ASN143 4.8 42.7 1.0 OD2 B:ASP156 4.9 49.2 1.0 ND2 B:ASN143 4.9 44.4 1.0

T.A.Young, B.Delagoutte, J.A.Endrizzi, A.M.Falick, T.Alber. Structure of Mycobacterium Tuberculosis Pknb Supports A Universal Activation Mechanism For Ser/Thr Protein Kinases. Nat.Struct.Biol. V. 10 168 2003.
ISSN: ISSN 1072-8368
PubMed: 12548283
DOI: 10.1038/NSB897