Manganese in PDB 5eyx: Monoclinic Form of Centrolobium Tomentosum Seed Lectin (Ctl) Complexed with MAN1-3MAN-Ome.

The structure of Monoclinic Form of Centrolobium Tomentosum Seed Lectin (Ctl) Complexed with MAN1-3MAN-Ome., PDB code: 5eyx was solved by A.C.Almeida, V.J.S.Osterne, M.Q.Santiago, V.R.Pinto-Junior, J.C.Silva-Filho, C.F.Lossio, R.P.H.Almeida, C.S.Teixeira, P.Delatorre, B.A.M.Rocha, K.S.Santiago, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.92 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	145.840, 41.550, 94.640, 90.00, 102.40, 90.00
R / Rfree (%)	18.6 / 23.7

The structure of Monoclinic Form of Centrolobium Tomentosum Seed Lectin (Ctl) Complexed with MAN1-3MAN-Ome. also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Monoclinic Form of Centrolobium Tomentosum Seed Lectin (Ctl) Complexed with MAN1-3MAN-Ome. (pdb code 5eyx). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Monoclinic Form of Centrolobium Tomentosum Seed Lectin (Ctl) Complexed with MAN1-3MAN-Ome., PDB code: 5eyx:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Monoclinic Form of Centrolobium Tomentosum Seed Lectin (Ctl) Complexed with MAN1-3MAN-Ome.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Monoclinic Form of Centrolobium Tomentosum Seed Lectin (Ctl) Complexed with MAN1-3MAN-Ome. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:19.1 occ:1.00 OD1 A:ASP141 1.9 17.5 1.0 O A:HOH427 2.0 15.8 1.0 OD2 A:ASP130 2.1 13.1 1.0 NE2 A:HIS146 2.1 16.8 1.0 OE2 A:GLU128 2.1 16.9 1.0 O A:HOH425 2.2 13.4 1.0 CG A:ASP141 2.9 16.7 1.0 CE1 A:HIS146 2.9 13.9 1.0 CG A:ASP130 3.1 17.0 1.0 CD A:GLU128 3.2 19.0 1.0 CD2 A:HIS146 3.2 14.0 1.0 OD2 A:ASP141 3.3 18.6 1.0 CB A:ASP130 3.5 14.9 1.0 O A:HOH443 3.5 10.7 1.0 OE1 A:GLU128 3.5 14.9 1.0 CA A:CA301 4.0 15.2 1.0 ND1 A:HIS146 4.1 16.2 1.0 CB A:ASP141 4.2 14.5 1.0 OD1 A:ASP130 4.2 20.5 1.0 CG A:HIS146 4.3 14.7 1.0 O A:HOH472 4.3 14.9 1.0 OG A:SER156 4.4 14.7 1.0 CG A:GLU128 4.5 12.5 1.0 CD1 A:TRP140 4.5 12.3 1.0 O A:ILE154 4.5 17.9 1.0 NE1 A:TRP140 4.7 14.7 1.0 CA A:ASP141 4.7 15.9 1.0 CD A:PRO142 5.0 16.7 1.0 CA A:ASP130 5.0 14.3 1.0

Manganese binding site 2 out of 2 in the Monoclinic Form of Centrolobium Tomentosum Seed Lectin (Ctl) Complexed with MAN1-3MAN-Ome.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Monoclinic Form of Centrolobium Tomentosum Seed Lectin (Ctl) Complexed with MAN1-3MAN-Ome. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:20.9 occ:1.00 NE2 B:HIS147 2.1 22.0 1.0 O B:HOH405 2.1 14.8 1.0 OD1 B:ASP142 2.1 20.7 1.0 OE2 B:GLU129 2.3 17.9 1.0 OD2 B:ASP131 2.3 30.0 1.0 O B:HOH404 2.3 14.5 1.0 CD2 B:HIS147 3.0 14.5 1.0 CE1 B:HIS147 3.1 16.6 1.0 CG B:ASP142 3.1 19.4 1.0 CD B:GLU129 3.2 15.5 1.0 CG B:ASP131 3.3 30.0 1.0 OD2 B:ASP142 3.5 14.7 1.0 OE1 B:GLU129 3.5 14.3 1.0 CB B:ASP131 3.5 30.0 1.0 O B:HOH409 3.7 11.3 1.0 CA B:CA301 4.1 16.4 1.0 ND1 B:HIS147 4.2 17.3 1.0 CG B:HIS147 4.2 17.8 1.0 OG B:SER157 4.2 18.0 1.0 CB B:ASP142 4.3 19.7 1.0 OD1 B:ASP131 4.4 30.0 1.0 O B:ILE155 4.5 18.8 1.0 CD1 B:TRP141 4.5 17.7 1.0 O B:HOH437 4.5 13.2 1.0 NE1 B:TRP141 4.6 19.1 1.0 CG B:GLU129 4.6 13.6 1.0 CA B:ASP142 4.7 16.9 1.0 CD B:PRO143 4.8 16.0 1.0

A.C.Almeida, V.J.Osterne, M.Q.Santiago, V.R.Pinto-Junior, J.C.Silva-Filho, C.F.Lossio, F.L.Nascimento, R.P.Almeida, C.S.Teixeira, R.B.Leal, P.Delatorre, B.A.Rocha, A.M.Assreuy, K.S.Nascimento, B.S.Cavada. Structural Analysis of Centrolobium Tomentosum Seed Lectin with Inflammatory Activity. Arch.Biochem.Biophys. V. 596 73 2016.
ISSN: ESSN 1096-0384
PubMed: 26946944
DOI: 10.1016/J.ABB.2016.03.001