Manganese in PDB 2f5f: Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5

The structure of Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5, PDB code: 2f5f was solved by J.I.Kliegman, S.L.Griner, J.D.Helmann, R.G.Brennan, A.Glasfeld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.70 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.630, 46.420, 75.420, 90.00, 94.26, 90.00
R / Rfree (%)	22.2 / 25.7

The binding sites of Manganese atom in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5 (pdb code 2f5f). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5, PDB code: 2f5f:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1150 b:34.3 occ:1.00 OE2 A:GLU99 2.1 36.9 1.0 ND1 A:HIS77 2.2 21.9 1.0 OE2 A:GLU11 2.3 38.0 1.0 OE2 A:GLU102 2.3 21.0 1.0 OE1 A:GLU11 2.3 39.1 1.0 O A:HOH1153 2.4 39.9 1.0 OE1 A:GLU102 2.5 22.2 1.0 CD A:GLU11 2.6 36.8 1.0 CD A:GLU102 2.7 21.8 1.0 CE1 A:HIS77 3.0 22.1 1.0 CD A:GLU99 3.1 37.4 1.0 CG A:HIS77 3.3 21.9 1.0 OE1 A:GLU99 3.6 38.9 1.0 CB A:HIS77 3.8 24.3 1.0 O A:HOH1154 4.1 23.2 1.0 CG A:GLU11 4.1 35.0 1.0 NE2 A:HIS77 4.1 21.8 1.0 MN A:MN1151 4.2 41.7 1.0 CG A:GLU102 4.3 20.1 1.0 CD2 A:HIS77 4.3 19.1 1.0 CG A:GLU99 4.3 33.6 1.0 O A:HOH1167 4.3 44.5 1.0 O A:HOH1168 4.5 39.4 1.0 CA A:GLU99 4.7 26.3 1.0 OD2 A:ASP8 4.7 41.7 1.0 CA A:HIS77 4.8 28.0 1.0 CB A:GLU11 4.9 33.9 1.0

Manganese binding site 2 out of 4 in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1151 b:41.7 occ:1.00 O A:HOH1152 2.0 35.8 1.0 NE2 A:HIS103 2.3 32.1 1.0 OD2 A:ASP8 2.4 41.7 1.0 OE2 A:GLU102 2.5 21.0 1.0 OE1 A:GLU99 2.5 38.9 1.0 O A:GLU99 2.6 25.7 1.0 CD2 A:HIS103 3.2 31.1 1.0 CG A:ASP8 3.3 39.6 1.0 CD A:GLU99 3.3 37.4 1.0 CE1 A:HIS103 3.3 32.0 1.0 C A:GLU99 3.4 24.2 1.0 O A:HOH1153 3.4 39.9 1.0 OD1 A:ASP8 3.5 41.6 1.0 CA A:GLU99 3.5 26.3 1.0 CD A:GLU102 3.5 21.8 1.0 CB A:GLU99 3.8 30.7 1.0 CG A:GLU102 3.9 20.1 1.0 OE2 A:GLU99 3.9 36.9 1.0 CG A:GLU99 4.2 33.6 1.0 MN A:MN1150 4.2 34.3 1.0 CG A:HIS103 4.3 32.1 1.0 ND1 A:HIS103 4.4 29.0 1.0 N A:GLY100 4.7 24.8 1.0 CB A:ASP8 4.7 37.7 1.0 OE1 A:GLU102 4.7 22.2 1.0 O A:HOH1167 4.8 44.5 1.0 N A:GLU99 4.9 26.9 1.0 O A:HOH1168 5.0 39.4 1.0

Manganese binding site 3 out of 4 in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn2150 b:29.0 occ:1.00 OE2 B:GLU99 2.0 39.1 1.0 OE1 B:GLU102 2.1 23.2 1.0 ND1 B:HIS77 2.1 22.8 1.0 OE2 B:GLU11 2.2 34.2 1.0 OE1 B:GLU11 2.2 37.4 1.0 O B:HOH2153 2.3 36.4 1.0 CD B:GLU11 2.5 33.0 1.0 OE2 B:GLU102 2.6 28.1 1.0 CD B:GLU102 2.7 21.9 1.0 CE1 B:HIS77 3.0 22.5 1.0 CD B:GLU99 3.1 35.6 1.0 CG B:HIS77 3.2 23.9 1.0 CB B:HIS77 3.6 24.5 1.0 OE1 B:GLU99 3.7 39.7 1.0 O B:HOH2154 4.0 16.2 1.0 CG B:GLU11 4.1 33.1 1.0 NE2 B:HIS77 4.1 22.2 1.0 CG B:GLU102 4.2 20.1 1.0 CD2 B:HIS77 4.2 21.7 1.0 CG B:GLU99 4.2 31.0 1.0 O B:HOH2166 4.3 32.2 1.0 MN B:MN2151 4.4 40.4 1.0 CA B:GLU99 4.6 25.4 1.0 O B:HOH2169 4.6 40.3 1.0 CA B:HIS77 4.6 26.5 1.0 OD2 B:ASP8 4.8 36.7 1.0 CB B:GLU102 4.9 20.6 1.0 CG1 B:VAL98 4.9 24.2 1.0 CB B:GLU11 4.9 32.0 1.0

Manganese binding site 4 out of 4 in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Manganese, Ac Conformation, pH 8.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn2151 b:40.4 occ:1.00 O B:HOH2152 2.0 41.5 1.0 NE2 B:HIS103 2.2 27.9 1.0 OE2 B:GLU102 2.2 28.1 1.0 OD2 B:ASP8 2.3 36.7 1.0 OE1 B:GLU99 2.4 39.7 1.0 O B:GLU99 2.6 26.2 1.0 CG B:ASP8 3.1 35.3 1.0 CE1 B:HIS103 3.1 24.5 1.0 CD2 B:HIS103 3.2 25.3 1.0 OD1 B:ASP8 3.2 34.9 1.0 O B:HOH2153 3.3 36.4 1.0 CD B:GLU99 3.3 35.6 1.0 CD B:GLU102 3.3 21.9 1.0 C B:GLU99 3.5 24.6 1.0 CA B:GLU99 3.8 25.4 1.0 CG B:GLU102 3.8 20.1 1.0 OE2 B:GLU99 3.9 39.1 1.0 CB B:GLU99 4.0 27.7 1.0 ND1 B:HIS103 4.2 24.0 1.0 CG B:HIS103 4.3 27.6 1.0 CG B:GLU99 4.3 31.0 1.0 O B:HOH2167 4.4 45.5 1.0 OE1 B:GLU102 4.4 23.2 1.0 MN B:MN2150 4.4 29.0 1.0 CB B:ASP8 4.5 33.8 1.0 N B:GLY100 4.7 24.9 1.0

J.I.Kliegman, S.L.Griner, J.D.Helmann, R.G.Brennan, A.Glasfeld. Structural Basis For the Metal-Selective Activation of the Manganese Transport Regulator of Bacillus Subtilis. Biochemistry V. 45 3493 2006.
ISSN: ISSN 0006-2960
PubMed: 16533030
DOI: 10.1021/BI0524215