Manganese in PDB 1bqp: The Structure of the Pea Lectin-D-Mannopyranose Complex

The structure of The Structure of the Pea Lectin-D-Mannopyranose Complex, PDB code: 1bqp was solved by S.N.Ruzeinikov, I.Y.Mikhailova, I.N.Tsygannik, W.Pangborn, W.Duax, V.Z.Pletnev, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.926, 104.083, 64.837, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.8

The structure of The Structure of the Pea Lectin-D-Mannopyranose Complex also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the The Structure of the Pea Lectin-D-Mannopyranose Complex (pdb code 1bqp). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the The Structure of the Pea Lectin-D-Mannopyranose Complex, PDB code: 1bqp:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Structure of the Pea Lectin-D-Mannopyranose Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Structure of the Pea Lectin-D-Mannopyranose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:20.9 occ:1.00 O A:HOH302 1.9 32.4 1.0 O A:HOH306 2.0 14.1 1.0 OE1 A:GLU119 2.2 21.6 1.0 OD1 A:ASP121 2.2 12.7 1.0 OD1 A:ASP129 2.3 19.4 1.0 NE2 A:HIS136 2.3 13.5 1.0 CE1 A:HIS136 3.1 12.5 1.0 CG A:ASP121 3.2 14.5 1.0 CD A:GLU119 3.2 17.2 1.0 CG A:ASP129 3.2 19.4 1.0 CD2 A:HIS136 3.4 15.3 1.0 CB A:ASP121 3.5 15.1 1.0 OE2 A:GLU119 3.5 20.2 1.0 O A:HOH304 3.6 20.7 1.0 OD2 A:ASP129 3.7 20.8 1.0 OG A:SER146 4.2 15.6 1.0 CA A:CA300 4.2 19.7 1.0 OD2 A:ASP121 4.3 14.4 1.0 ND1 A:HIS136 4.3 14.3 1.0 CB A:ASP129 4.4 19.8 1.0 O A:HOH307 4.5 18.5 1.0 CG A:HIS136 4.5 15.3 1.0 CG A:GLU119 4.5 17.5 1.0 O A:ILE144 4.6 14.7 1.0 NE1 A:TRP128 4.6 22.2 1.0 CD A:PRO130 4.7 26.9 1.0 CD1 A:TRP128 4.7 18.2 1.0 CA A:ASP129 4.7 21.7 1.0

Manganese binding site 2 out of 2 in the The Structure of the Pea Lectin-D-Mannopyranose Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Structure of the Pea Lectin-D-Mannopyranose Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn303 b:21.4 occ:1.00 O C:HOH407 2.1 11.9 1.0 O C:HOH406 2.1 10.1 1.0 OD2 C:ASP121 2.1 16.6 1.0 OD1 C:ASP129 2.2 18.2 1.0 OE1 C:GLU119 2.2 25.1 1.0 NE2 C:HIS136 2.4 15.0 1.0 CD C:GLU119 3.1 20.6 1.0 CG C:ASP121 3.1 18.1 1.0 CE1 C:HIS136 3.2 12.2 1.0 OE2 C:GLU119 3.3 19.7 1.0 CG C:ASP129 3.3 16.0 1.0 CD2 C:HIS136 3.6 16.5 1.0 CB C:ASP121 3.6 15.2 1.0 OD2 C:ASP129 3.8 17.5 1.0 O C:HOH405 4.0 16.9 1.0 OG C:SER146 4.1 15.2 1.0 OD1 C:ASP121 4.2 17.1 1.0 O C:HOH445 4.3 27.6 1.0 CA C:CA302 4.3 11.9 1.0 ND1 C:HIS136 4.4 13.4 1.0 O C:ILE144 4.4 19.2 1.0 CB C:ASP129 4.4 21.4 1.0 CD1 C:TRP128 4.5 20.1 1.0 NE1 C:TRP128 4.5 16.9 1.0 CG C:GLU119 4.5 15.2 1.0 CD C:PRO130 4.6 23.7 1.0 CG C:HIS136 4.6 14.8 1.0 CA C:ASP129 4.7 21.8 1.0

S.N.Ruzheinikov, I.Y.Mikhailova, I.N.Tsygannik, W.Pangborn, W.Duax, V.Z.Pletnev. The Structure of the Pea Lectin-D-Mannopyranose Complex at A 2.1 A Resolution Russ.J.Bioorganic Chem. V. 24 277 1998.
ISSN: ISSN 1068-1620