Magnesium in PDB 3ucy: Structure of MG2+ Bound N-Terminal Domain of Calmodulin in the Presence of ZN2+

The structure of Structure of MG2+ Bound N-Terminal Domain of Calmodulin in the Presence of ZN2+, PDB code: 3ucy was solved by F.T.Senguen, Z.Grabarek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.73 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	35.298, 35.298, 142.937, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 22.8

The structure of Structure of MG2+ Bound N-Terminal Domain of Calmodulin in the Presence of ZN2+ also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Arsenic	(As)	1 atom
Sodium	(Na)	1 atom

The binding sites of Magnesium atom in the Structure of MG2+ Bound N-Terminal Domain of Calmodulin in the Presence of ZN2+ (pdb code 3ucy). 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 Structure of MG2+ Bound N-Terminal Domain of Calmodulin in the Presence of ZN2+, PDB code: 3ucy:

Magnesium binding site 1 out of 1 in the Structure of MG2+ Bound N-Terminal Domain of Calmodulin in the Presence of ZN2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of MG2+ Bound N-Terminal Domain of Calmodulin in the Presence of ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:47.0 occ:1.00 O A:HOH303 2.0 40.2 1.0 O A:HOH319 2.1 46.0 1.0 OD1 A:ASP56 2.1 43.5 1.0 OD1 A:ASN60 2.2 46.3 1.0 OD1 A:ASP58 2.3 67.5 1.0 O A:THR62 2.3 41.8 1.0 CG A:ASN60 3.2 47.8 1.0 CG A:ASP58 3.3 68.2 1.0 CG A:ASP56 3.4 42.5 1.0 C A:THR62 3.5 37.1 1.0 OD2 A:ASP58 3.5 66.7 1.0 ND2 A:ASN60 3.7 51.6 1.0 N A:THR62 3.9 35.8 1.0 CA A:ASP56 4.0 44.0 1.0 CA A:THR62 4.1 37.4 1.0 CB A:THR62 4.1 36.5 1.0 O A:HOH314 4.2 46.4 1.0 O A:HOH336 4.2 52.9 1.0 CB A:ASP56 4.2 42.3 1.0 OD2 A:ASP56 4.2 43.4 1.0 N A:ASN60 4.3 46.3 1.0 O A:HOH343 4.4 38.2 1.0 CB A:ASN60 4.4 45.6 1.0 C A:ASP56 4.5 47.1 1.0 N A:ILE63 4.6 31.9 1.0 O A:VAL55 4.6 45.6 1.0 N A:ASP58 4.6 61.3 1.0 CG2 A:THR62 4.6 39.7 1.0 N A:GLY61 4.7 36.4 1.0 CB A:ASP58 4.7 65.8 1.0 CA A:ASN60 4.7 43.0 1.0 N A:GLY59 4.8 62.2 1.0 N A:ALA57 4.8 53.1 1.0 C A:ASN60 4.9 39.5 1.0 CA A:ILE63 4.9 32.6 1.0 CA A:ASP58 5.0 62.4 1.0

F.T.Senguen, Z.Grabarek. X-Ray Structures of Magnesium and Manganese Complexes with the N-Terminal Domain of Calmodulin: Insights Into the Mechanism and Specificity of Metal Ion Binding to An Ef-Hand. Biochemistry V. 51 6182 2012.
ISSN: ISSN 0006-2960
PubMed: 22803592
DOI: 10.1021/BI300698H