Manganese in PDB 8fj8: Crystal Structure of Mn(2+),Ca(2+)-S100B

The structure of Crystal Structure of Mn(2+),Ca(2+)-S100B, PDB code: 8fj8 was solved by D.A.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.30 / 2.17
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	34.598, 90.602, 58.087, 90, 90, 90
R / Rfree (%)	20.1 / 25.7

The structure of Crystal Structure of Mn(2+),Ca(2+)-S100B also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Crystal Structure of Mn(2+),Ca(2+)-S100B (pdb code 8fj8). 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 Crystal Structure of Mn(2+),Ca(2+)-S100B, PDB code: 8fj8:

Manganese binding site 1 out of 1 in the Crystal Structure of Mn(2+),Ca(2+)-S100B


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 Mn(2+),Ca(2+)-S100B within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn103 b:76.0 occ:1.00 NE2 A:HIS85 2.0 62.4 1.0 CD2 A:HIS85 3.0 66.2 1.0 CE1 A:HIS85 3.0 62.1 1.0 ND1 A:HIS85 4.1 59.5 1.0 CG A:HIS85 4.1 56.6 1.0

B.Young, S.Sevdalis, D.J.Weber, D.Hunter, X.Zhuang, K.Varney, Z.Melville, D.J.Weber. Structural Insights Into Ions Binding to S100A1 Versus S100B To Be Published.