Magnesium in PDB 5eru: Ternary Complex of Gephe - Adp - Molybdenum Cluster

The structure of Ternary Complex of Gephe - Adp - Molybdenum Cluster, PDB code: 5eru was solved by V.B.Kasaragod, H.Schindelin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.84 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	87.680, 99.100, 113.060, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 17.6

The structure of Ternary Complex of Gephe - Adp - Molybdenum Cluster also contains other interesting chemical elements:

Molybdenum	(Mo)	9 atoms
Calcium	(Ca)	1 atom

The binding sites of Magnesium atom in the Ternary Complex of Gephe - Adp - Molybdenum Cluster (pdb code 5eru). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Ternary Complex of Gephe - Adp - Molybdenum Cluster, PDB code: 5eru:

Magnesium binding site 1 out of 1 in the Ternary Complex of Gephe - Adp - Molybdenum Cluster


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Complex of Gephe - Adp - Molybdenum Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg821 b:33.7 occ:1.00 O1A A:ADP810 2.0 24.7 1.0 O A:HOH932 2.1 34.9 1.0 O A:HOH1026 2.2 46.6 1.0 O1B A:ADP810 2.4 38.0 1.0 OD2 A:ASP580 2.8 44.2 1.0 HB2 A:SER575 3.1 47.2 1.0 PA A:ADP810 3.1 20.0 0.9 OD1 A:ASP580 3.2 40.4 1.0 CG A:ASP580 3.4 34.6 1.0 O2A A:ADP810 3.5 20.2 1.0 PB A:ADP810 3.6 20.9 0.5 O3A A:ADP810 3.8 22.4 1.0 H A:SER575 4.0 28.9 1.0 HA2 A:GLY573 4.0 23.9 1.0 H A:GLY573 4.0 23.1 1.0 CB A:SER575 4.0 39.3 1.0 HG A:SER575 4.2 56.0 1.0 O A:HOH984 4.2 23.6 1.0 CA A:CA809 4.2 21.2 1.0 O A:HOH1111 4.2 51.7 1.0 O A:HOH1181 4.3 40.6 1.0 HA3 A:GLY577 4.3 67.5 1.0 OG A:SER575 4.4 46.7 1.0 O5' A:ADP810 4.4 20.7 1.0 O2B A:ADP810 4.4 39.1 1.0 H A:GLY577 4.5 67.9 1.0 H5'2 A:ADP810 4.5 21.6 1.0 HB3 A:SER575 4.5 47.2 1.0 N A:GLY573 4.7 19.2 1.0 O3B A:ADP810 4.7 37.9 1.0 CA A:GLY573 4.7 19.9 1.0 N A:SER575 4.7 24.1 1.0 O A:HOH1071 4.8 21.3 1.0 H A:VAL574 4.9 24.9 1.0 CB A:ASP580 4.9 27.9 1.0 CA A:SER575 4.9 31.0 1.0 C5' A:ADP810 5.0 18.0 1.0

V.B.Kasaragod, H.Schindelin. Structural Framework For Metal Incorporation During Molybdenum Cofactor Biosynthesis. Structure V. 24 782 2016.
ISSN: ISSN 0969-2126
PubMed: 27112598
DOI: 10.1016/J.STR.2016.02.023