Manganese in PDB 2adp: Nitrated Human Manganese Superoxide Dismutase

All present enzymatic activity of Nitrated Human Manganese Superoxide Dismutase:
1.15.1.1;

The structure of Nitrated Human Manganese Superoxide Dismutase, PDB code: 2adp was solved by P.Quint, R.Reutzel, R.Mikulski, R.Mckenna, D.N.Silverman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.270, 81.270, 242.181, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 21.8

The structure of Nitrated Human Manganese Superoxide Dismutase also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Manganese atom in the Nitrated Human Manganese Superoxide Dismutase (pdb code 2adp). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Nitrated Human Manganese Superoxide Dismutase, PDB code: 2adp:

Manganese binding site 1 out of 1 in the Nitrated Human Manganese Superoxide Dismutase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Nitrated Human Manganese Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn199 b:21.6 occ:1.00 OD2 A:ASP159 2.0 15.2 1.0 O A:HOH201 2.1 19.1 1.0 NE2 A:HIS74 2.1 17.3 1.0 NE2 A:HIS26 2.1 20.8 1.0 NE2 A:HIS163 2.3 16.6 1.0 CE1 A:HIS74 3.0 17.3 1.0 CE1 A:HIS26 3.1 18.8 1.0 CG A:ASP159 3.1 18.4 1.0 CD2 A:HIS26 3.1 19.4 1.0 CE1 A:HIS163 3.1 17.9 1.0 CD2 A:HIS74 3.2 15.5 1.0 CD2 A:HIS163 3.3 18.1 1.0 O1 A:NIY34 3.6 45.5 0.8 OD1 A:ASP159 3.6 15.8 1.0 O2 A:NIY34 3.8 24.0 0.8 ND1 A:HIS74 4.2 19.7 1.0 ND1 A:HIS26 4.2 19.5 1.0 CG A:HIS26 4.3 20.5 1.0 NN A:NIY34 4.3 35.2 0.8 CG A:HIS74 4.3 19.9 1.0 ND1 A:HIS163 4.3 17.9 1.0 CB A:ASP159 4.4 17.7 1.0 CG A:HIS163 4.4 17.3 1.0 CZ2 A:TRP123 4.4 17.7 1.0 CB A:TRP161 4.7 16.0 1.0 NE2 A:GLN143 4.7 20.2 1.0 CG A:TRP161 4.8 15.5 1.0 CH2 A:TRP123 4.9 16.9 1.0 CB A:ALA164 5.0 14.2 1.0

P.Quint, R.Reutzel, R.Mikulski, R.Mckenna, D.N.Silverman. Crystal Structure of Nitrated Human Manganese Superoxide Dismutase: Mechanism of Inactivation. Free Radic.Biol.Med. V. 40 453 2006.
ISSN: ISSN 0891-5849
PubMed: 16443160
DOI: 10.1016/J.FREERADBIOMED.2005.08.045