The binding sites of Manganese atom in the structure of Crystal Structure of the Response Regulator Divk At pH 8.0 in Complex With MN2+ (pdb code 1mb0). This binding sites where shown with 5.0 Angstroms radius around Manganese atom.
The 1mb0 structure was solved by V.GUILLET, N.OHTA, S.CABANTOUS, A.NEWTON, J-P.SAMAMA, STRUCTURALPROTEOMICS IN EUROPE (SPINE), with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 14.9-2.0 | | Space group | P212121 | | a (A) | 36.120 | | b (A) | 40.760 | | c (A) | 66.020 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 20.8 | | Rfree (%) | 24.6 |
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Manganese binding site 1 out of 2 in 1mb0
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1mb0. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Glu9, A: Asp10, A: Asn11, A: Asn14, A: Asp53, A: Gln55, A: Hoh203, A: Hoh221, | conact list:
| Atom | Atom | Distance (A) | | Mn | OE1 A:Glu9 | 3.31 | | Mn | OE2 A:Glu9 | 2.44 | | Mn | CD A:Glu9 | 3.22 | | Mn | CG A:Glu9 | 4.62 | | Mn | N A:Asp10 | 4.16 | | Mn | CB A:Asp10 | 4.64 | | Mn | OD2 A:Asp10 | 4.32 | | Mn | C A:Asp10 | 4.83 | | Mn | OD1 A:Asp10 | 2.44 | | Mn | CG A:Asp10 | 3.62 | | Mn | CA A:Asp10 | 4.74 | | Mn | N A:Asn11 | 4.03 | | Mn | CB A:Asn11 | 4.11 | | Mn | CA A:Asn11 | 4.74 | | Mn | OD1 A:Asn14 | 4.14 | | Mn | CB A:Asp53 | 4.32 | | Mn | OD2 A:Asp53 | 2.49 | | Mn | OD1 A:Asp53 | 3.57 | | Mn | CG A:Asp53 | 3.22 | | Mn | O A:Gln55 | 4.53 | | Mn | O A:Hoh203 | 2.76 | | Mn | O A:Hoh221 | 2.47 |
| interactive model:
| Manganese binding site 2 out of 2 in 1mb0
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1mb0. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: His19, A: Glu23, A: Thr29, A: Gln31, A: Hoh205, A: Hoh231, | conact list:
| Atom | Atom | Distance (A) | | Mn | NE2 A:His19 | 2.57 | | Mn | ND1 A:His19 | 4.66 | | Mn | CD2 A:His19 | 3.52 | | Mn | CE1 A:His19 | 3.53 | | Mn | CG A:His19 | 4.68 | | Mn | OE1 A:Glu23 | 3.44 | | Mn | CD A:Glu23 | 4.62 | | Mn | OG1 A:Thr29 | 4.36 | | Mn | NE2 A:Gln31 | 4.54 | | Mn | O A:Hoh205 | 2.77 | | Mn | O A:Hoh231 | 3.89 |
| interactive model:
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