Manganese in PDB 2r8d: The Structure of Transporter Associated Domain CORC_HLYC From A Xylella Fastidiosa TEMECULA1 Hemolysin in Complex with Mg++ and Mn++

The structure of The Structure of Transporter Associated Domain CORC_HLYC From A Xylella Fastidiosa TEMECULA1 Hemolysin in Complex with Mg++ and Mn++, PDB code: 2r8d was solved by M.E.Cuff, L.Volkart, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.40 / 2.00
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	88.061, 88.061, 88.061, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 22

The structure of The Structure of Transporter Associated Domain CORC_HLYC From A Xylella Fastidiosa TEMECULA1 Hemolysin in Complex with Mg++ and Mn++ also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Manganese atom in the The Structure of Transporter Associated Domain CORC_HLYC From A Xylella Fastidiosa TEMECULA1 Hemolysin in Complex with Mg++ and Mn++ (pdb code 2r8d). 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 The Structure of Transporter Associated Domain CORC_HLYC From A Xylella Fastidiosa TEMECULA1 Hemolysin in Complex with Mg++ and Mn++, PDB code: 2r8d:

Manganese binding site 1 out of 1 in the The Structure of Transporter Associated Domain CORC_HLYC From A Xylella Fastidiosa TEMECULA1 Hemolysin in Complex with Mg++ and Mn++


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Structure of Transporter Associated Domain CORC_HLYC From A Xylella Fastidiosa TEMECULA1 Hemolysin in Complex with Mg++ and Mn++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn92 b:35.5 occ:0.50 OD2 A:ASP76 2.1 60.0 1.0 OD2 A:ASP78 2.2 57.1 1.0 OD2 A:ASP83 2.4 52.8 1.0 CG A:ASP78 3.1 56.8 1.0 CG A:ASP76 3.1 56.0 1.0 CG A:ASP83 3.2 57.1 1.0 OD1 A:ASP78 3.3 60.1 1.0 OD1 A:ASP76 3.6 53.7 1.0 CB A:ASP83 3.6 56.3 1.0 MG A:MG93 3.7 31.8 1.0 OD1 A:ASP83 4.2 54.5 1.0 CB A:ASP76 4.3 57.9 1.0 O A:HOH116 4.5 52.5 1.0 CB A:ASP78 4.5 57.5 1.0 O A:HOH104 4.8 39.0 1.0

M.E.Cuff, L.Volkart, A.Joachimiak. The Structure of Transporter Associated Domain Corc in Complex with Mg++ and Mn++ From Xylella Fastidiosa. To Be Published.