Magnesium in PDB 6bs3: Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis

The structure of Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis, PDB code: 6bs3 was solved by H.Li, K.Hu, A.Kovach, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.19 / 2.30
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.340, 121.340, 120.973, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 22.9

The structure of Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis (pdb code 6bs3). 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 Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis, PDB code: 6bs3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis


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 Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:36.7 occ:1.00 O A:HOH541 2.0 44.9 1.0 O A:HOH510 2.1 44.0 1.0 O A:HOH580 2.1 53.0 1.0 O1B A:ADP401 2.2 43.7 1.0 OG A:SER35 2.3 42.2 1.0 O A:HOH502 2.4 61.9 1.0 CB A:SER35 3.4 39.9 1.0 PB A:ADP401 3.5 42.9 1.0 O2B A:ADP401 3.7 49.2 1.0 NH1 A:ARG60 4.0 70.5 1.0 O1A A:ADP401 4.1 45.1 1.0 N A:SER35 4.2 38.2 1.0 NH2 A:ARG60 4.2 80.4 1.0 OD1 A:ASP162 4.3 52.7 1.0 OD2 A:ASP162 4.3 48.3 1.0 CZ A:ARG60 4.4 88.9 1.0 CA A:SER35 4.4 38.1 1.0 O3A A:ADP401 4.4 42.9 1.0 O3B A:ADP401 4.6 41.7 1.0 PA A:ADP401 4.7 43.9 1.0 CG A:ASP162 4.7 47.4 1.0 O2A A:ADP401 4.9 43.0 1.0 O A:HOH522 4.9 49.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis


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 Adp-Bound Bacterial GET3-Like A and B in Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg405 b:37.5 occ:1.00 O2B B:ADP401 2.0 45.3 1.0 O B:HOH504 2.1 32.4 1.0 O B:HOH505 2.1 42.9 1.0 OD1 B:ASP56 2.2 49.7 1.0 OG1 B:THR33 2.2 39.7 1.0 O B:HOH503 2.2 34.3 1.0 CG B:ASP56 3.1 52.4 1.0 PB B:ADP401 3.3 43.7 1.0 CB B:THR33 3.4 41.0 1.0 OD2 B:ASP56 3.4 57.5 1.0 O3B B:ADP401 3.5 46.6 1.0 N B:THR33 3.9 40.0 1.0 OD2 B:ASP154 4.0 43.6 1.0 O2A B:ADP401 4.1 40.4 1.0 O B:ASP56 4.1 45.8 1.0 OD1 B:ASP154 4.2 42.5 1.0 CA B:THR33 4.2 39.4 1.0 O3A B:ADP401 4.3 44.8 1.0 O1B B:ADP401 4.3 43.2 1.0 CG2 B:THR33 4.4 37.3 1.0 CB B:ASP56 4.4 44.4 1.0 CG B:ASP154 4.5 42.9 1.0 N B:ASP56 4.6 43.5 1.0 C B:ASP56 4.6 46.9 1.0 PA B:ADP401 4.7 42.0 1.0 CA B:ASP56 4.8 43.1 1.0 O B:THR155 4.8 45.3 1.0 CB B:LYS32 4.8 39.9 1.0 CD B:PRO157 4.9 44.5 1.0 O1A B:ADP401 4.9 43.1 1.0 C B:LYS32 4.9 42.8 1.0

K.Hu, A.T.Jordan, S.Zhang, A.Dhabaria, A.Kovach, M.V.Rangel, B.Ueberheide, H.Li, K.H.Darwin. Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium Tuberculosis. J.Bacteriol. V. 201 2019.
ISSN: ESSN 1098-5530
PubMed: 31036728
DOI: 10.1128/JB.00159-19