Magnesium in PDB 4y0x: Crystal Structure of the S/T Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Adp

All present enzymatic activity of Crystal Structure of the S/T Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Adp:
2.7.11.1;

The structure of Crystal Structure of the S/T Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Adp, PDB code: 4y0x was solved by M.N.Lisa, P.M.Alzari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.61 / 1.74
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	75.920, 37.250, 108.520, 90.00, 97.74, 90.00
R / Rfree (%)	19.7 / 20.9

The structure of Crystal Structure of the S/T Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Adp also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of the S/T Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Adp (pdb code 4y0x). 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 the S/T Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Adp, PDB code: 4y0x:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the S/T Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Adp


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 the S/T Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:16.5 occ:1.00 O A:HOH612 2.2 34.4 1.0 O2A A:ADP501 2.2 26.9 1.0 OD2 A:ASP293 2.3 33.8 1.0 O3B A:ADP501 2.3 30.5 1.0 OD1 A:ASN281 2.4 22.1 1.0 O A:HOH646 2.5 35.0 1.0 CG A:ASP293 3.2 29.9 1.0 CG A:ASN281 3.4 22.4 1.0 PB A:ADP501 3.5 34.8 1.0 PA A:ADP501 3.5 29.3 1.0 CB A:ASP293 3.7 25.3 1.0 ND2 A:ASN281 3.7 23.8 1.0 O A:HOH728 3.8 38.8 1.0 O3A A:ADP501 3.8 29.0 1.0 O2B A:ADP501 3.9 38.8 1.0 O1A A:ADP501 4.1 27.7 1.0 O A:HOH620 4.2 33.6 1.0 OD1 A:ASP293 4.3 32.0 1.0 O A:HOH603 4.5 38.2 1.0 OD2 A:ASP276 4.5 35.9 1.0 CE A:LYS278 4.6 39.1 1.0 MG A:MG504 4.7 24.4 1.0 OE2 A:GLU280 4.7 46.9 1.0 O5' A:ADP501 4.7 27.2 1.0 O1B A:ADP501 4.8 38.1 1.0 CB A:ASN281 4.8 20.2 1.0 O A:HOH682 4.9 43.2 1.0 NZ A:LYS278 4.9 38.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the S/T Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Adp


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 the S/T Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:24.4 occ:1.00 O A:HOH620 2.1 33.6 1.0 O A:HOH782 2.3 32.5 1.0 O A:HOH651 2.3 40.2 1.0 OD1 A:ASP293 2.4 32.0 1.0 O A:HOH603 2.5 38.2 1.0 O A:HOH626 2.6 26.5 1.0 OD2 A:ASP293 2.8 33.8 1.0 CG A:ASP293 2.9 29.9 1.0 OD2 A:ASP276 4.0 35.9 1.0 NZ A:LYS181 4.1 35.2 1.0 O3B A:ADP501 4.1 30.5 1.0 O A:HOH646 4.2 35.0 1.0 O A:HOH768 4.2 44.3 1.0 CA A:GLY295 4.3 28.7 1.0 CB A:ASP293 4.4 25.3 1.0 N A:GLY295 4.6 26.0 1.0 MG A:MG503 4.7 16.5 1.0 OH A:TYR305 4.7 51.7 1.0 N A:ALA296 4.7 26.2 1.0 C A:GLY295 4.8 33.9 1.0 O A:HOH699 4.8 29.6 1.0 O A:ASP293 4.9 27.4 1.0

M.N.Lisa, M.Gil, G.Andre-Leroux, N.Barilone, R.Duran, R.M.Biondi, P.M.Alzari. Molecular Basis of the Activity and the Regulation of the Eukaryotic-Like S/T Protein Kinase Pkng From Mycobacterium Tuberculosis. Structure 2015.
ISSN: ISSN 0969-2126
PubMed: 25960409
DOI: 10.1016/J.STR.2015.04.001