Manganese in PDB 2o5a: Crystal Structure of Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21

The structure of Crystal Structure of Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21, PDB code: 2o5a was solved by J.Benach, M.Su, J.Seetharaman, C.H.Ho, H.Janjua, K.Cunningham, L.-C.Ma, R.Xiao, J.Liu, M.C.Baran, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	119.936, 32.021, 59.546, 90.00, 90.00, 90.00
R / Rfree (%)	25.1 / 27.8

The binding sites of Manganese atom in the Crystal Structure of Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21 (pdb code 2o5a). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21, PDB code: 2o5a:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21


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 Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn126 b:15.8 occ:1.00 OE1 A:GLU45 2.0 11.6 1.0 CD A:GLU45 2.6 16.8 1.0 OE2 A:GLU45 2.6 18.1 1.0 O A:GLN74 4.0 29.9 1.0 CG A:GLU45 4.1 16.6 1.0 CD A:ARG76 4.3 20.7 1.0 NE2 A:GLN74 4.5 39.7 1.0 NH1 A:ARG76 4.6 24.1 1.0 CG A:ARG76 4.9 19.1 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21


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 Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn127 b:51.9 occ:0.50 OD1 A:ASP35 2.7 56.2 1.0 OD2 A:ASP35 2.8 53.6 1.0 OD1 A:ASP84 3.0 51.9 1.0 CG A:ASP35 3.1 49.6 1.0 N A:SER2 3.2 75.9 1.0 CG A:ASP84 4.0 48.6 1.0 CA A:SER2 4.2 75.6 1.0 CB A:ASP35 4.6 41.3 1.0 CB A:ASP84 4.7 43.5 1.0 OD2 A:ASP84 4.8 52.6 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn128 b:52.3 occ:1.00 O A:HOH3004 3.1 9.2 1.0 O A:HOH3054 3.2 15.8 1.0 O A:HOH3055 3.2 18.9 1.0 O A:HOH3056 4.1 22.5 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn126 b:54.5 occ:1.00 OE1 B:GLU45 2.7 37.7 1.0 OE2 B:GLU45 3.1 38.6 1.0 CD B:GLU45 3.3 36.9 1.0 NE2 B:GLN74 4.1 59.0 1.0 O B:GLN74 4.2 32.8 1.0 CD B:ARG76 4.4 32.6 1.0 CG B:GLU45 4.7 34.8 1.0 CG B:ARG76 4.9 28.0 1.0

J.Benach, M.Su, J.Seetharaman, C.H.Ho, H.Janjua, K.Cunningham, L.-C.Ma, R.Xiao, J.Liu, M.C.Baran, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong. Crystal Structure of Q9KD89 From Bacillus Halodurans. Northeast Structural Genomics Target BHR21 To Be Published.