Manganese in PDB 5t30: Human Mnsod-Azide Complex

All present enzymatic activity of Human Mnsod-Azide Complex:
1.15.1.1;

The structure of Human Mnsod-Azide Complex, PDB code: 5t30 was solved by J.Azadmanesh, S.R.Trickel, C.H.Kolar, J.J.Lovelace, G.E.O.Borgstahl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.46 / 1.77
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.900, 77.900, 238.442, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 23.9

The structure of Human Mnsod-Azide Complex also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Manganese atom in the Human Mnsod-Azide Complex (pdb code 5t30). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Human Mnsod-Azide Complex, PDB code: 5t30:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Human Mnsod-Azide Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Human Mnsod-Azide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:14.4 occ:1.00 O A:HOH301 1.9 16.3 1.0 OD2 A:ASP159 2.0 15.1 1.0 N3 A:AZI205 2.0 15.8 0.4 NE2 A:HIS163 2.1 15.0 1.0 NE2 A:HIS26 2.1 15.7 1.0 NE2 A:HIS74 2.1 14.8 1.0 N2 A:AZI205 2.9 15.7 0.4 CE1 A:HIS74 3.0 14.3 1.0 CD2 A:HIS163 3.0 14.8 1.0 CD2 A:HIS26 3.1 15.6 1.0 CE1 A:HIS26 3.1 15.3 1.0 CE1 A:HIS163 3.1 15.1 1.0 CD2 A:HIS74 3.1 14.3 1.0 CG A:ASP159 3.1 14.3 1.0 OD1 A:ASP159 3.6 14.3 1.0 N1 A:AZI205 4.1 15.4 0.4 ND1 A:HIS163 4.2 15.0 1.0 ND1 A:HIS26 4.2 16.1 1.0 ND1 A:HIS74 4.2 14.0 1.0 CG A:HIS163 4.2 14.9 1.0 CG A:HIS26 4.2 15.4 1.0 CG A:HIS74 4.2 13.7 1.0 CB A:ASP159 4.4 14.1 1.0 CZ2 A:TRP123 4.5 12.4 1.0 NE2 A:GLN143 4.5 14.3 1.0 CB A:TRP161 4.6 13.2 1.0 CG A:TRP161 4.7 13.3 1.0 CD1 A:TRP161 5.0 13.1 1.0

Manganese binding site 2 out of 2 in the Human Mnsod-Azide Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Human Mnsod-Azide Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:14.3 occ:1.00 OD2 B:ASP159 1.9 15.1 1.0 O B:HOH301 1.9 17.0 1.0 NE2 B:HIS163 2.1 15.1 1.0 NE2 B:HIS26 2.1 13.8 1.0 NE2 B:HIS74 2.1 14.9 1.0 CE1 B:HIS74 3.0 14.5 1.0 CD2 B:HIS163 3.0 14.7 1.0 CE1 B:HIS26 3.1 13.8 1.0 CE1 B:HIS163 3.1 15.2 1.0 CG B:ASP159 3.1 14.8 1.0 CD2 B:HIS26 3.1 14.4 1.0 CD2 B:HIS74 3.1 14.0 1.0 OD1 B:ASP159 3.5 13.5 1.0 ND1 B:HIS74 4.2 13.8 1.0 ND1 B:HIS26 4.2 14.4 1.0 ND1 B:HIS163 4.2 14.8 1.0 CG B:HIS163 4.2 15.2 1.0 CG B:HIS26 4.2 13.7 1.0 CG B:HIS74 4.2 13.5 1.0 CB B:ASP159 4.4 14.8 1.0 CZ2 B:TRP123 4.4 13.3 1.0 NE2 B:GLN143 4.5 15.2 1.0 CB B:TRP161 4.6 14.4 1.0 CG B:TRP161 4.7 14.8 1.0 CD1 B:TRP161 4.9 14.4 1.0

J.Azadmanesh, S.R.Trickel, G.E.O.Borgstahl. Substrate-Analog Binding and Electrostatic Surfaces of Human Manganese Superoxide Dismutase. J. Struct. Biol. V. 199 68 2017.
ISSN: ESSN 1095-8657
PubMed: 28461152
DOI: 10.1016/J.JSB.2017.04.011