Zinc 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:

Magnesium	(Mg)	1 atom
Arsenic	(As)	1 atom
Sodium	(Na)	1 atom

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of MG2+ Bound N-Terminal Domain of Calmodulin in the Presence of ZN2+, PDB code: 3ucy:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 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 Zinc with other atoms in the Zn 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:Zn102 b:29.8 occ:1.00 O2 A:CAC200 1.9 30.0 1.0 OD2 A:ASP24 2.0 32.5 1.0 OD2 A:ASP22 2.0 30.3 1.0 CG A:ASP22 2.8 29.2 1.0 OD1 A:ASP22 2.9 27.9 1.0 CG A:ASP24 2.9 33.0 1.0 AS A:CAC200 3.2 30.0 1.0 OD1 A:ASP24 3.2 29.5 1.0 NA A:NA100 3.4 28.2 1.0 O1 A:CAC200 3.7 30.0 1.0 C1 A:CAC200 3.7 30.0 1.0 O A:HOH320 4.0 45.5 1.0 OG1 A:THR26 4.0 35.5 1.0 CB A:ASP24 4.2 32.9 1.0 O A:HOH301 4.2 30.0 1.0 CB A:ASP22 4.2 30.6 1.0 C2 A:CAC200 4.9 30.0 1.0

Zinc binding site 2 out of 2 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 Zinc with other atoms in the Zn binding site number 2 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:Zn103 b:42.3 occ:1.00 OD2 A:ASP64 1.9 41.8 1.0 OE2 A:GLU67 2.2 49.9 1.0 CG A:ASP64 2.8 36.9 1.0 O A:HOH361 2.9 59.1 1.0 OD1 A:ASP64 2.9 36.6 1.0 CD A:GLU67 3.1 48.3 1.0 CG A:GLU67 3.3 42.2 1.0 O A:HOH343 4.0 38.2 1.0 O A:HOH314 4.1 46.4 1.0 CB A:ASP64 4.2 33.7 1.0 OE1 A:GLU67 4.3 52.3 1.0 CB A:GLU67 4.5 35.3 1.0 O A:HOH336 4.7 52.9 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