Manganese in PDB 4l8q: Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man.

The structure of Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man., PDB code: 4l8q was solved by I.L.Barroso-Neto, B.A.M.Rocha, R.C.Simoes, M.J.B.Bezerra, F.N.Pereira-Junior, V.J.S.Osterne, K.S.Nascimento, C.S.Nagano, P.Delatorre, A.H.Sampaio, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.29 / 2.30
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.422, 65.152, 106.708, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 26.7

The structure of Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man. also contains other interesting chemical elements:

Cadmium	(Cd)	2 atoms
Bromine	(Br)	1 atom
Calcium	(Ca)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Manganese atom in the Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man. (pdb code 4l8q). 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 Canavalia Grandiflora Seed Lectin Complexed with X-Man., PDB code: 4l8q:

Manganese binding site 1 out of 1 in the Crystal Structure of Canavalia Grandiflora Seed 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 Canavalia Grandiflora Seed Lectin Complexed with X-Man. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:34.4 occ:1.00 NE2 A:HIS24 1.9 29.4 1.0 O A:HOH478 2.2 34.3 1.0 OD2 A:ASP10 2.2 29.6 1.0 OE1 A:GLU8 2.3 28.6 1.0 O A:HOH477 2.3 34.2 1.0 OD1 A:ASP19 2.3 40.9 1.0 CE1 A:HIS24 2.8 28.0 1.0 CD2 A:HIS24 3.0 30.9 1.0 CG A:ASP19 3.0 40.1 1.0 CG A:ASP10 3.1 31.0 1.0 CD A:GLU8 3.2 25.1 1.0 OD2 A:ASP19 3.4 39.0 1.0 CB A:ASP10 3.5 33.0 1.0 OE2 A:GLU8 3.5 22.3 1.0 O A:HOH423 3.9 24.3 1.0 ND1 A:HIS24 4.0 29.1 1.0 OG A:SER34 4.0 29.4 1.0 CA A:CA301 4.1 29.4 1.0 CG A:HIS24 4.1 27.3 1.0 CB A:ASP19 4.1 43.0 1.0 OD1 A:ASP10 4.2 34.7 1.0 CA A:ASP19 4.5 41.3 1.0 CG A:GLU8 4.6 24.5 1.0 O A:ILE32 4.7 33.4 1.0 CA A:ASP10 5.0 31.5 1.0

I.L.Barroso-Neto, R.C.Simoes, B.A.Rocha, M.J.Bezerra, F.N.Pereira-Junior, V.J.Silva Osterne, K.S.Nascimento, C.S.Nagano, P.Delatorre, M.G.Pereira, A.Freitas Pires, A.H.Sampaio, A.M.Assreuy, B.S.Cavada. Vasorelaxant Activity of Canavalia Grandiflora Seed Lectin: A Structural Analysis. Arch.Biochem.Biophys. V. 543 31 2014.
ISSN: ISSN 0003-9861
PubMed: 24361256
DOI: 10.1016/J.ABB.2013.12.006