Manganese in PDB 2bqp: The Structure of the Pea Lectin-D-Glucopyranose Complex

The structure of The Structure of the Pea Lectin-D-Glucopyranose Complex, PDB code: 2bqp was solved by S.N.Ruzeinikov, I.Mikhailova Yu, 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 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.838, 135.246, 54.781, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.8

The structure of The Structure of the Pea Lectin-D-Glucopyranose 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-Glucopyranose Complex (pdb code 2bqp). 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-Glucopyranose Complex, PDB code: 2bqp:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Structure of the Pea Lectin-D-Glucopyranose 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-Glucopyranose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn236 b:12.2 occ:1.00 O A:HOH347 1.7 2.9 1.0 HE2 A:HIS136 1.8 0.0 0.0 OD2 A:ASP121 2.0 6.6 1.0 O A:HOH358 2.1 6.4 1.0 OD1 A:ASP129 2.2 2.6 1.0 OE2 A:GLU119 2.3 17.8 1.0 NE2 A:HIS136 2.5 15.2 1.0 CG A:ASP121 3.1 9.8 1.0 CD A:GLU119 3.2 18.2 1.0 CG A:ASP129 3.3 6.9 1.0 CE1 A:HIS136 3.4 6.3 1.0 OE1 A:GLU119 3.5 18.0 1.0 CD2 A:HIS136 3.5 14.9 1.0 CB A:ASP121 3.5 10.3 1.0 OD2 A:ASP129 3.8 10.9 1.0 O A:HOH419 3.9 18.3 1.0 HE1 A:TRP128 3.9 0.0 0.0 OG A:SER146 4.2 13.5 1.0 OD1 A:ASP121 4.2 4.7 1.0 CA A:CA235 4.2 10.7 1.0 CB A:ASP129 4.4 8.4 1.0 HG A:SER146 4.4 0.0 0.0 O A:ILE144 4.4 12.9 1.0 ND1 A:HIS136 4.5 9.9 1.0 NE1 A:TRP128 4.5 8.0 1.0 CD1 A:TRP128 4.6 15.1 1.0 CG A:GLU119 4.6 12.2 1.0 CG A:HIS136 4.6 11.7 1.0 O A:HOH343 4.6 18.3 1.0 CA A:ASP129 4.7 5.8 1.0 CD A:PRO130 4.7 17.3 1.0 H A:SER146 4.7 0.0 0.0

Manganese binding site 2 out of 2 in the The Structure of the Pea Lectin-D-Glucopyranose 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-Glucopyranose Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn236 b:15.7 occ:1.00 HE2 B:HIS136 1.6 0.0 0.0 O B:HOH365 1.9 4.5 1.0 NE2 B:HIS136 2.1 19.0 1.0 OD2 B:ASP121 2.2 12.5 1.0 OD1 B:ASP129 2.3 13.0 1.0 O B:HOH359 2.3 17.1 1.0 OE2 B:GLU119 2.3 5.9 1.0 CE1 B:HIS136 2.9 16.4 1.0 CG B:ASP121 3.2 15.5 1.0 CG B:ASP129 3.3 14.0 1.0 CD B:GLU119 3.3 17.4 1.0 CD2 B:HIS136 3.3 23.9 1.0 CB B:ASP121 3.5 11.4 1.0 OE1 B:GLU119 3.6 9.9 1.0 OD2 B:ASP129 3.7 14.4 1.0 O B:HOH358 3.9 13.8 1.0 ND1 B:HIS136 4.1 17.4 1.0 OG B:SER146 4.2 10.3 1.0 CA B:CA235 4.2 13.9 1.0 CG B:HIS136 4.3 19.5 1.0 O B:HOH381 4.3 9.3 1.0 OD1 B:ASP121 4.3 13.8 1.0 HE1 B:TRP128 4.3 0.0 0.0 HG B:SER146 4.4 0.0 0.0 CB B:ASP129 4.5 17.5 1.0 CD B:PRO130 4.6 26.5 1.0 CG B:GLU119 4.6 8.7 1.0 O B:ILE144 4.7 11.8 1.0 CA B:ASP129 4.8 21.0 1.0 H B:SER146 4.8 0.0 0.0 CD1 B:TRP128 4.8 17.8 1.0 HD1 B:HIS136 4.9 0.0 0.0 NE1 B:TRP128 4.9 20.9 1.0

V.Z.Pletnev, S.N.Ruzheinikov, I.N.Tsygannik, I.Mikhailova Yu, W.Duax, D.Ghosh, W.Pangborn. The Structure of Pea Lectin-D-Glucopyranose Complex at A 1.9 A Resolution Russ.J.Bioorganic Chem. V. 23 469 1997.
ISSN: ISSN 1068-1620