Manganese in PDB 4z3b: Crystal Structure of Mnco/Apo-R52CFR

The structure of Crystal Structure of Mnco/Apo-R52CFR, PDB code: 4z3b was solved by K.Fujita, Y.Tanaka, S.Abe, T.Ueno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.71 / 1.42
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	181.733, 181.733, 181.733, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 17.7

The structure of Crystal Structure of Mnco/Apo-R52CFR also contains other interesting chemical elements:

Cadmium

(Cd)

3 atoms

The binding sites of Manganese atom in the Crystal Structure of Mnco/Apo-R52CFR (pdb code 4z3b). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Mnco/Apo-R52CFR, PDB code: 4z3b:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Mnco/Apo-R52CFR


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Mnco/Apo-R52CFR within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn205 b:21.4 occ:0.80 SG A:CYS48 2.1 19.8 1.0 SG A:CYS52 2.2 19.2 0.8 O A:CYS48 3.2 12.2 1.0 CB A:CYS52 3.3 12.8 0.8 CB A:CYS52 3.5 12.7 0.2 CB A:CYS48 3.6 13.0 1.0 C A:CYS48 3.6 11.9 1.0 O A:GLY34 3.8 12.6 1.0 CA A:CYS48 3.9 12.3 1.0 C A:GLY34 4.0 11.2 1.0 CA A:GLY34 4.0 10.2 1.0 SG A:CYS52 4.1 17.3 0.2 MN A:MN206 4.1 21.8 0.6 N A:HIS49 4.3 11.6 1.0 CA A:CYS52 4.5 12.2 0.2 CA A:CYS52 4.5 11.7 0.8 N A:CYS52 4.6 11.0 1.0 N A:PHE35 4.7 10.2 1.0 CD2 A:HIS49 4.7 16.9 0.5 CA A:HIS49 4.7 11.4 0.5 CA A:HIS49 4.8 13.5 0.5

Manganese binding site 2 out of 2 in the Crystal Structure of Mnco/Apo-R52CFR


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Mnco/Apo-R52CFR within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn206 b:21.8 occ:0.60 O A:HOH328 2.0 23.8 1.0 SG A:CYS48 2.9 19.8 1.0 OD1 A:ASP38 3.6 16.5 1.0 NE2 A:HIS49 3.6 18.6 0.5 O A:HOH419 3.7 33.4 1.0 CB A:CYS48 3.8 13.0 1.0 CD2 A:HIS49 3.8 16.9 0.5 MN A:MN205 4.1 21.4 0.8 O A:HOH454 4.1 35.9 1.0 CG A:ASP38 4.2 13.3 1.0 CB A:ASP38 4.4 11.4 1.0 O A:HOH413 4.4 18.5 1.0 CG A:GLU45 4.4 15.3 0.8 CE1 A:HIS49 4.8 18.0 0.5 O A:GLU45 4.9 8.2 0.8 CA A:GLU45 5.0 8.5 0.8

K.Fujita, Y.Tanaka, S.Abe, T.Ueno. A Photoactive Carbon-Monoxide-Releasing Protein Cage For Dose-Regulated Delivery in Living Cells Angew.Chem.Int.Ed.Engl. V. 55 1056 2016.
ISSN: ESSN 1521-3773
PubMed: 26332099
DOI: 10.1002/ANIE.201506738