Manganese in PDB 8ux7: Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man

The structure of Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man, PDB code: 8ux7 was solved by M.V.Oliveira, G.De Sloover, V.J.S.Osterne, V.R.Pinto-Junior, J.C.Sacramento-Neto, E.J.M.Van Damme, K.S.Nascimento, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.66 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.35, 109.414, 126.364, 90, 90, 90
R / Rfree (%)	20.1 / 24.8

The structure of Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man also contains other interesting chemical elements:

Potassium	(K)	1 atom
Chlorine	(Cl)	2 atoms
Bromine	(Br)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Manganese atom in the Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man (pdb code 8ux7). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man, PDB code: 8ux7:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Dioclea Megacarpa Lectin (Dmega) 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 Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:39.8 occ:1.00 O A:HOH404 2.0 38.6 1.0 OD2 A:ASP10 2.0 41.0 1.0 NE2 A:HIS24 2.1 42.1 1.0 O A:HOH408 2.1 34.9 1.0 OE2 A:GLU8 2.2 34.0 1.0 OD1 A:ASP19 2.2 40.3 1.0 CE1 A:HIS24 3.0 44.7 1.0 CG A:ASP19 3.0 44.4 1.0 CG A:ASP10 3.1 40.5 1.0 CD A:GLU8 3.1 40.4 1.0 CD2 A:HIS24 3.2 43.7 1.0 OE1 A:GLU8 3.4 39.4 1.0 OD2 A:ASP19 3.4 43.4 1.0 CB A:ASP10 3.5 41.2 1.0 O A:HOH416 3.9 35.6 1.0 OG A:SER34 4.0 43.0 1.0 CA A:CA302 4.1 40.5 1.0 O A:HOH414 4.1 54.6 1.0 ND1 A:HIS24 4.2 44.1 1.0 CB A:ASP19 4.2 47.2 1.0 OD1 A:ASP10 4.2 36.7 1.0 CG A:HIS24 4.3 41.6 1.0 CG A:GLU8 4.5 40.9 1.0 CA A:ASP19 4.6 44.6 1.0 O A:ILE32 4.6 45.0 1.0

Manganese binding site 2 out of 2 in the Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:47.3 occ:1.00 O B:HOH417 1.9 58.6 1.0 O B:HOH415 1.9 31.4 1.0 NE2 B:HIS24 2.1 43.1 1.0 OD2 B:ASP10 2.2 44.7 1.0 OE2 B:GLU8 2.2 46.1 1.0 OD1 B:ASP19 2.4 66.0 1.0 CE1 B:HIS24 2.8 47.4 1.0 CG B:ASP19 3.0 49.0 1.0 CG B:ASP10 3.0 53.4 1.0 CD2 B:HIS24 3.2 47.2 1.0 CD B:GLU8 3.3 43.5 1.0 OD2 B:ASP19 3.4 47.2 1.0 CB B:ASP10 3.4 54.5 1.0 O B:HOH413 3.7 37.6 1.0 OE1 B:GLU8 3.7 45.1 1.0 ND1 B:HIS24 4.0 44.8 1.0 CA B:CA302 4.1 51.7 1.0 CB B:ASP19 4.1 54.6 1.0 OD1 B:ASP10 4.1 53.6 1.0 OG B:SER34 4.1 42.3 1.0 CG B:HIS24 4.2 43.0 1.0 CA B:ASP19 4.5 52.9 1.0 CG B:GLU8 4.6 50.5 1.0 O B:ILE32 4.6 43.2 1.0 CA B:ASP10 4.9 56.0 1.0

M.V.Oliveira, G.De Sloover, V.J.S.Osterne, V.R.Pinto-Junior, J.C.Sacramento-Neto, E.J.M.Van Damme, K.S.Nascimento, B.S.Cavada. Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man To Be Published.