Manganese in PDB 4not: Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man

The structure of Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man, PDB code: 4not was solved by I.L.Barroso-Neto, C.S.Teixeira, J.L.A.Correia, M.Q.Santiago, V.R.Pinto-Junior, V.J.S.Osterne, D.Plinio, B.A.M.Rocha, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.41 / 2.35
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.940, 66.610, 108.650, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.7

The structure of Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Chlorine	(Cl)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Manganese atom in the Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man (pdb code 4not). 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 Dioclea Sclerocarpa Lectin Complexed with X-Man, PDB code: 4not:

Manganese binding site 1 out of 1 in the Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man


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 Dioclea Sclerocarpa Lectin Complexed with X-Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:30.0 occ:1.00 O A:HOH405 2.3 30.0 1.0 OE2 A:GLU8 2.3 17.2 1.0 OD2 A:ASP10 2.4 19.3 1.0 O A:HOH404 2.4 30.0 1.0 OD2 A:ASP19 2.5 19.5 1.0 NE2 A:HIS24 2.5 20.7 1.0 CD A:GLU8 3.2 16.2 1.0 CE1 A:HIS24 3.2 18.4 1.0 CG A:ASP19 3.2 21.9 1.0 OE1 A:GLU8 3.4 16.7 1.0 CG A:ASP10 3.4 19.7 1.0 OD1 A:ASP19 3.6 26.1 1.0 CD2 A:HIS24 3.7 18.8 1.0 CB A:ASP10 3.7 22.6 1.0 O A:HOH406 3.8 30.0 1.0 OG A:SER34 4.1 23.5 1.0 CA A:CA302 4.2 30.0 1.0 CB A:ASP19 4.4 25.4 1.0 ND1 A:HIS24 4.4 21.1 1.0 O A:HOH483 4.5 30.0 1.0 OD1 A:ASP10 4.5 19.6 1.0 CG A:GLU8 4.6 18.8 1.0 O A:ILE32 4.7 22.5 1.0 CA A:ASP19 4.7 26.0 1.0 CG A:HIS24 4.7 20.6 1.0

I.L.Barroso-Neto, C.S.Teixeira, J.L.A.Correia, M.Q.Santiago, V.R.Pinto-Junior, V.J.S.Osterne, D.Plinio, B.A.M.Rocha, B.S.Cavada. Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man To Be Published.