Manganese in PDB 4k1z: Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome

The structure of Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome, PDB code: 4k1z was solved by G.A.Bezerra, R.Viertlmayr, T.R.Moura, P.Delatorre, B.A.M.Rocha, B.S.Cavada, K.Gruber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.15 / 2.30
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	107.810, 107.810, 157.910, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 22.2

The structure of Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome also contains other interesting chemical elements:

Cadmium	(Cd)	9 atoms
Chlorine	(Cl)	2 atoms
Calcium	(Ca)	4 atoms

The binding sites of Manganese atom in the Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome (pdb code 4k1z). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome, PDB code: 4k1z:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome


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 Boliviana Lectin in Complex with MAN1- 4MAN-Ome within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:19.3 occ:1.00 OD2 A:ASP10 2.2 16.3 1.0 OE2 A:GLU8 2.3 14.8 1.0 OD1 A:ASP19 2.3 14.2 1.0 O A:HOH411 2.3 13.8 1.0 O A:HOH405 2.3 13.6 1.0 NE2 A:HIS24 2.4 19.4 1.0 CG A:ASP19 3.1 19.6 1.0 CG A:ASP10 3.2 20.4 1.0 CE1 A:HIS24 3.2 18.1 1.0 CD A:GLU8 3.2 14.2 1.0 CD2 A:HIS24 3.4 17.9 1.0 OD2 A:ASP19 3.5 14.3 1.0 OE1 A:GLU8 3.5 20.5 1.0 CB A:ASP10 3.6 14.8 1.0 O A:HOH401 4.1 8.1 1.0 O A:HOH501 4.2 26.0 1.0 CA A:CA302 4.2 18.9 1.0 O A:HOH503 4.2 28.3 1.0 OG A:SER34 4.3 16.5 1.0 OD1 A:ASP10 4.3 18.1 1.0 CB A:ASP19 4.3 18.6 1.0 ND1 A:HIS24 4.4 21.0 1.0 CG A:HIS24 4.5 19.0 1.0 O A:VAL32 4.6 20.6 1.0 CG A:GLU8 4.6 11.9 1.0 CA A:ASP19 4.7 22.0 1.0 CD A:PRO20 4.9 22.4 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome


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 Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:16.7 occ:1.00 OD2 B:ASP10 2.2 17.5 1.0 OE2 B:GLU8 2.2 19.0 1.0 O B:HOH419 2.3 22.7 1.0 NE2 B:HIS24 2.3 19.6 1.0 O B:HOH402 2.4 12.9 1.0 OD1 B:ASP19 2.4 19.5 1.0 CE1 B:HIS24 3.1 17.0 1.0 CD B:GLU8 3.1 15.8 1.0 CG B:ASP10 3.2 20.9 1.0 CG B:ASP19 3.2 22.8 1.0 OE1 B:GLU8 3.4 15.8 1.0 CD2 B:HIS24 3.4 15.2 1.0 OD2 B:ASP19 3.4 22.9 1.0 CB B:ASP10 3.6 18.9 1.0 O B:HOH405 4.0 13.5 1.0 OG B:SER34 4.3 20.6 1.0 CA B:CA302 4.3 19.4 1.0 O B:HOH465 4.3 31.4 1.0 ND1 B:HIS24 4.3 16.6 1.0 OD1 B:ASP10 4.3 20.9 1.0 O B:HOH470 4.4 32.0 1.0 CG B:HIS24 4.4 17.7 1.0 CB B:ASP19 4.5 22.1 1.0 O B:VAL32 4.5 23.4 1.0 CG B:GLU8 4.5 13.2 1.0 CA B:ASP19 4.8 23.9 1.0 CD B:PRO20 5.0 25.7 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn301 b:18.4 occ:1.00 OD2 C:ASP10 2.1 18.6 1.0 O C:HOH401 2.2 18.9 1.0 NE2 C:HIS24 2.3 19.8 1.0 OE2 C:GLU8 2.4 16.5 1.0 O C:HOH408 2.4 13.9 1.0 OD1 C:ASP19 2.5 21.4 1.0 CE1 C:HIS24 3.2 18.2 1.0 CG C:ASP10 3.2 21.1 1.0 CG C:ASP19 3.2 24.6 1.0 CD C:GLU8 3.4 19.6 1.0 CD2 C:HIS24 3.4 20.8 1.0 OD2 C:ASP19 3.5 23.8 1.0 OE1 C:GLU8 3.6 17.6 1.0 CB C:ASP10 3.7 23.4 1.0 O C:HOH474 3.8 32.7 1.0 O C:HOH409 3.9 20.3 1.0 CA C:CA302 4.2 23.5 1.0 O C:HOH472 4.3 33.7 1.0 OD1 C:ASP10 4.3 20.4 1.0 OG C:SER34 4.3 16.9 1.0 ND1 C:HIS24 4.4 19.1 1.0 CG C:HIS24 4.5 19.9 1.0 CB C:ASP19 4.5 25.4 1.0 O C:VAL32 4.6 24.1 1.0 CA C:ASP19 4.7 26.3 1.0 CG C:GLU8 4.7 14.7 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Canavalia Boliviana Lectin in Complex with MAN1- 4MAN-Ome within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn301 b:20.9 occ:1.00 OD2 D:ASP10 2.1 17.3 1.0 OE2 D:GLU8 2.3 16.6 1.0 OD1 D:ASP19 2.3 24.3 1.0 O D:HOH412 2.3 22.1 1.0 O D:HOH407 2.4 16.1 1.0 NE2 D:HIS24 2.4 23.1 1.0 CG D:ASP19 3.1 22.3 1.0 CE1 D:HIS24 3.2 20.4 1.0 CG D:ASP10 3.2 19.4 1.0 CD D:GLU8 3.2 19.8 1.0 OD2 D:ASP19 3.4 14.5 1.0 OE1 D:GLU8 3.4 15.6 1.0 CD2 D:HIS24 3.5 23.1 1.0 CB D:ASP10 3.6 21.5 1.0 O D:HOH424 3.8 24.5 1.0 OG D:SER34 4.2 18.7 1.0 CA D:CA302 4.2 22.9 1.0 OD1 D:ASP10 4.3 21.2 1.0 ND1 D:HIS24 4.4 18.5 1.0 CB D:ASP19 4.4 22.0 1.0 CG D:HIS24 4.5 21.6 1.0 CG D:GLU8 4.6 17.1 1.0 O D:VAL32 4.6 23.6 1.0 CA D:ASP19 4.8 25.6 1.0

G.A.Bezerra, R.Viertlmayr, T.R.Moura, P.Delatorre, B.A.Rocha, K.S.Do Nascimento, J.G.Figueiredo, I.G.Bezerra, C.S.Teixeira, R.C.Simoes, C.S.Nagano, N.M.De Alencar, K.Gruber, B.S.Cavada. Structural Studies of An Anti-Inflammatory Lectin From Canavalia Boliviana Seeds in Complex with Dimannosides. Plos One V. 9 97015 2014.
ISSN: ESSN 1932-6203
PubMed: 24865454
DOI: 10.1371/JOURNAL.PONE.0097015