Manganese in PDB 7un2: Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid

The structure of Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid, PDB code: 7un2 was solved by J.P.De Sousa, E.H.S.Bezerra, M.V.Sales, P.P.Queiroz, F.M.S.Da Silva, C.P.S.Carvalho, V.N.Freire, B.A.M.Rocha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.99 / 1.80
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	67.99, 71.843, 98.868, 90, 90, 90
R / Rfree (%)	20.3 / 23.3

The structure of Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Manganese atom in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid (pdb code 7un2). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid, PDB code: 7un2:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid


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 A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:36.5 occ:1.00 OD2 A:ASP10 2.1 25.7 1.0 NE2 A:HIS24 2.1 25.7 1.0 OE1 A:GLU8 2.2 24.7 1.0 O A:HOH418 2.3 23.3 1.0 OD1 A:ASP19 2.3 28.9 1.0 O A:HOH432 2.5 30.8 1.0 CE1 A:HIS24 3.0 30.9 1.0 CD A:GLU8 3.1 24.5 1.0 CG A:ASP10 3.1 31.3 1.0 CD2 A:HIS24 3.2 27.9 1.0 CG A:ASP19 3.2 36.5 1.0 OE2 A:GLU8 3.4 22.0 1.0 CB A:ASP10 3.6 24.9 1.0 OD2 A:ASP19 3.7 31.0 1.0 O A:HOH484 3.7 33.2 1.0 CA A:CA301 4.1 30.0 1.0 ND1 A:HIS24 4.1 26.7 1.0 OG A:SER34 4.2 28.3 1.0 OD1 A:ASP10 4.2 27.0 1.0 CG A:HIS24 4.3 27.9 1.0 CB A:ASP19 4.4 33.2 1.0 O A:HOH449 4.4 33.5 1.0 CG A:GLU8 4.5 22.8 1.0 O A:VAL32 4.6 32.7 1.0 CA A:ASP19 4.7 34.5 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of A Lectin From Canavalia Maritima Seed (Conm) Complexed with Indole-3-Butyric Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:24.1 occ:1.00 O B:HOH426 1.8 20.6 1.0 OD2 B:ASP10 2.1 17.4 1.0 OE1 B:GLU8 2.1 19.5 1.0 O B:HOH416 2.2 21.9 1.0 OD1 B:ASP19 2.2 23.5 1.0 NE2 B:HIS24 2.2 21.4 1.0 CG B:ASP10 3.1 20.1 1.0 CG B:ASP19 3.1 27.2 1.0 CD B:GLU8 3.1 17.7 1.0 CE1 B:HIS24 3.1 17.4 1.0 CD2 B:HIS24 3.3 19.8 1.0 CB B:ASP10 3.5 18.7 1.0 OE2 B:GLU8 3.5 17.8 1.0 OD2 B:ASP19 3.5 26.2 1.0 O B:HOH493 3.7 25.8 1.0 CA B:CA301 4.1 20.6 1.0 OG B:SER34 4.2 22.7 1.0 OD1 B:ASP10 4.2 17.9 1.0 O B:HOH525 4.3 30.6 1.0 ND1 B:HIS24 4.3 20.2 1.0 O B:HOH432 4.3 33.7 1.0 CB B:ASP19 4.3 24.5 1.0 CG B:HIS24 4.4 21.4 1.0 CG B:GLU8 4.5 17.8 1.0 O B:VAL32 4.7 22.2 1.0 CA B:ASP19 4.7 23.1 1.0 CA B:ASP10 5.0 18.9 1.0

J.P.De Sousa, E.H.S.Bezerra, M.V.Sales, P.P.Queiroz, F.M.S.Da Silva, C.P.S.Carvalho, V.N.Freire, B.A.M.Rocha. Structural Analysis of Canavalia Maritima Lectin Complexed with Auxins To Be Published.