Manganese in PDB 4mye: Cymosema Roseum Seed Lectin Structure Complexed with X-Man

The structure of Cymosema Roseum Seed Lectin Structure Complexed with X-Man, PDB code: 4mye was solved by I.L.Barroso-Neto, B.A.M.Rocha, C.S.Teixeira, M.Q.Santiago, L.A.G.Souza, A.F.Pires, A.M.S.Assreuy, P.Delatorre, Cavada, B.S, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.33 / 1.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.365, 88.753, 90.626, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 20.9

The structure of Cymosema Roseum Seed Lectin Structure Complexed with X-Man also contains other interesting chemical elements:

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

The binding sites of Manganese atom in the Cymosema Roseum Seed Lectin Structure Complexed with X-Man (pdb code 4mye). 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 Cymosema Roseum Seed Lectin Structure Complexed with X-Man, PDB code: 4mye:

Manganese binding site 1 out of 1 in the Cymosema Roseum Seed Lectin Structure 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 Cymosema Roseum Seed Lectin Structure Complexed with X-Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:20.1 occ:1.00 OE2 A:GLU8 2.1 15.2 1.0 OD2 A:ASP10 2.1 15.8 1.0 O A:HOH418 2.2 16.3 1.0 OD1 A:ASP19 2.2 16.4 1.0 O A:HOH429 2.2 18.3 1.0 NE2 A:HIS24 2.3 15.9 1.0 CG A:ASP19 3.1 20.9 1.0 CD A:GLU8 3.1 17.4 1.0 CG A:ASP10 3.2 16.6 1.0 CE1 A:HIS24 3.2 15.0 1.0 CD2 A:HIS24 3.3 15.7 1.0 OE1 A:GLU8 3.5 17.2 1.0 CB A:ASP10 3.6 15.1 1.0 OD2 A:ASP19 3.6 18.6 1.0 O A:HOH440 3.9 16.5 1.0 CA A:CA302 4.2 16.9 1.0 O A:HOH491 4.2 23.4 1.0 OG A:SER34 4.2 18.0 1.0 OD1 A:ASP10 4.3 15.8 1.0 CB A:ASP19 4.3 20.3 1.0 O A:HOH552 4.3 29.2 1.0 ND1 A:HIS24 4.3 17.8 1.0 CG A:HIS24 4.4 14.6 1.0 CG A:GLU8 4.5 13.9 1.0 O A:ILE32 4.7 18.9 1.0 CA A:ASP19 4.7 21.7 1.0 CD A:PRO20 5.0 21.3 1.0

I.L.Barroso-Neto, B.A.M.Rocha, C.S.Teixeira, M.Q.Santiago, L.A.G.Souza, A.F.Pires, A.M.S.Assreuy, P.Delatorre, B.S.Cavada. Cymosema Roseum Seed Lectin Structure Complexed with X-Man To Be Published.