Calcium in PDB 2ev5: Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium

The structure of Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium, PDB code: 2ev5 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)	39.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.690, 45.770, 74.730, 90.00, 93.76, 90.00
R / Rfree (%)	24.8 / 29.1

The binding sites of Calcium atom in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium (pdb code 2ev5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium, PDB code: 2ev5:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1150 b:21.1 occ:1.00 OE2 A:GLU99 2.3 25.0 1.0 O A:HOH1152 2.3 31.0 1.0 OE1 A:GLU102 2.4 19.1 1.0 ND1 A:HIS77 2.4 18.8 1.0 O A:HOH1153 2.4 38.6 1.0 OE2 A:GLU11 2.5 28.9 1.0 OE2 A:GLU102 2.6 19.1 1.0 OE1 A:GLU11 2.6 29.7 1.0 CD A:GLU102 2.8 18.9 1.0 CD A:GLU11 2.9 29.8 1.0 CE1 A:HIS77 3.1 20.1 1.0 CD A:GLU99 3.3 24.0 1.0 CG A:HIS77 3.5 21.0 1.0 OE1 A:GLU99 3.7 24.3 1.0 CB A:HIS77 4.1 20.6 1.0 O A:HOH1155 4.1 20.0 1.0 O A:HOH1188 4.2 29.6 1.0 NE2 A:HIS77 4.3 22.8 1.0 CG A:GLU11 4.3 26.5 1.0 CG A:GLU102 4.4 19.5 1.0 CA A:CA1151 4.4 30.9 1.0 OD2 A:ASP8 4.5 24.6 1.0 CD2 A:HIS77 4.5 20.8 1.0 CG A:GLU99 4.6 22.0 1.0 O A:HOH1167 4.6 25.8 1.0 O A:HOH1185 4.6 39.6 1.0 CA A:GLU99 4.9 20.3 1.0

Calcium binding site 2 out of 4 in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1151 b:30.9 occ:1.00 OE2 A:GLU102 2.3 19.1 1.0 O A:HOH1154 2.4 31.8 1.0 OD2 A:ASP8 2.5 24.6 1.0 NE2 A:HIS103 2.5 35.9 1.0 O A:GLU99 2.6 18.9 1.0 OE1 A:GLU99 2.6 24.3 1.0 OD1 A:ASP8 2.9 29.7 1.0 CG A:ASP8 3.0 29.6 1.0 CD2 A:HIS103 3.2 32.6 1.0 CD A:GLU102 3.4 18.9 1.0 CD A:GLU99 3.4 24.0 1.0 C A:GLU99 3.5 21.6 1.0 CE1 A:HIS103 3.5 33.8 1.0 O A:HOH1152 3.7 31.0 1.0 CA A:GLU99 3.7 20.3 1.0 CG A:GLU102 3.8 19.5 1.0 CB A:GLU99 4.0 22.0 1.0 OE2 A:GLU99 4.0 25.0 1.0 CG A:GLU99 4.3 22.0 1.0 CA A:CA1150 4.4 21.1 1.0 CG A:HIS103 4.4 33.5 1.0 OE1 A:GLU102 4.5 19.1 1.0 ND1 A:HIS103 4.5 32.7 1.0 CB A:ASP8 4.5 26.1 1.0 N A:GLY100 4.7 19.3 1.0 O A:HOH1188 4.9 29.6 1.0

Calcium binding site 3 out of 4 in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2150 b:21.0 occ:1.00 OE2 B:GLU99 2.2 24.6 1.0 O B:HOH2152 2.2 30.3 1.0 ND1 B:HIS77 2.4 16.2 1.0 OE1 B:GLU102 2.4 18.7 1.0 OE2 B:GLU11 2.5 26.5 1.0 O B:HOH2153 2.6 38.7 1.0 OE2 B:GLU102 2.6 19.1 1.0 OE1 B:GLU11 2.7 26.4 1.0 CD B:GLU102 2.9 16.4 1.0 CD B:GLU11 2.9 25.9 1.0 CE1 B:HIS77 3.1 17.8 1.0 CD B:GLU99 3.2 23.9 1.0 CG B:HIS77 3.4 18.4 1.0 OE1 B:GLU99 3.7 24.1 1.0 CB B:HIS77 4.0 19.1 1.0 O B:HOH2185 4.0 17.8 1.0 NE2 B:HIS77 4.2 17.6 1.0 O B:HOH2186 4.3 24.2 1.0 CG B:GLU11 4.4 24.7 1.0 CD2 B:HIS77 4.4 17.4 1.0 CG B:GLU102 4.4 15.5 1.0 CA B:CA2151 4.5 28.9 1.0 CG B:GLU99 4.5 22.6 1.0 OD2 B:ASP8 4.5 25.7 1.0 O B:HOH2179 4.5 33.6 1.0 O B:HOH2162 4.5 31.1 1.0 O B:HOH2193 4.8 43.9 1.0 CA B:GLU99 4.8 22.3 1.0 CA B:HIS77 5.0 19.9 1.0

Calcium binding site 4 out of 4 in the Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound to Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2151 b:28.9 occ:1.00 OE2 B:GLU102 2.4 19.1 1.0 NE2 B:HIS103 2.4 32.9 1.0 OE1 B:GLU99 2.5 24.1 1.0 OD2 B:ASP8 2.5 25.7 1.0 O B:HOH2154 2.5 33.1 1.0 O B:GLU99 2.6 23.1 1.0 OD1 B:ASP8 2.8 31.3 1.0 CG B:ASP8 3.0 27.1 1.0 CD2 B:HIS103 3.2 30.1 1.0 CD B:GLU99 3.4 23.9 1.0 CE1 B:HIS103 3.5 29.1 1.0 CD B:GLU102 3.5 16.4 1.0 C B:GLU99 3.6 22.6 1.0 CA B:GLU99 3.8 22.3 1.0 O B:HOH2152 3.9 30.3 1.0 CG B:GLU102 3.9 15.5 1.0 OE2 B:GLU99 4.0 24.6 1.0 CB B:GLU99 4.1 24.6 1.0 CG B:GLU99 4.3 22.6 1.0 CG B:HIS103 4.4 31.1 1.0 ND1 B:HIS103 4.5 28.7 1.0 CA B:CA2150 4.5 21.0 1.0 CB B:ASP8 4.5 26.2 1.0 OE1 B:GLU102 4.6 18.7 1.0 O B:HOH2186 4.7 24.2 1.0 N B:GLY100 4.8 22.0 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