Manganese in PDB 2e51: Crystal Structure of Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide

The structure of Crystal Structure of Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide, PDB code: 2e51 was solved by K.A.Kulkarni, S.Katiyar, A.Surolia, M.Vijayan, K.Suguna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	157.665, 91.112, 73.617, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22.8

The structure of Crystal Structure of Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Crystal Structure of Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide (pdb code 2e51). 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 Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide, PDB code: 2e51:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide


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 Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn300 b:46.1 occ:1.00 OD1 A:ASP131 2.2 33.2 1.0 OD2 A:ASP124 2.3 27.5 1.0 OE2 A:GLU122 2.3 32.0 1.0 O A:HOH643 2.3 31.1 1.0 NE2 A:HIS136 2.6 26.9 1.0 CG A:ASP131 3.1 35.2 1.0 CD A:GLU122 3.2 31.4 1.0 CG A:ASP124 3.3 29.2 1.0 CE1 A:HIS136 3.4 26.1 1.0 OE1 A:GLU122 3.5 30.9 1.0 OD2 A:ASP131 3.5 35.5 1.0 CD2 A:HIS136 3.6 26.6 1.0 CB A:ASP124 3.7 28.0 1.0 O A:HOH632 3.9 21.6 1.0 O A:VAL144 4.2 34.3 1.0 OG A:SER146 4.2 35.5 1.0 CA A:CA303 4.3 31.9 1.0 CB A:ASP131 4.4 36.6 1.0 OD1 A:ASP124 4.5 32.4 1.0 O A:HOH642 4.5 47.2 1.0 NE1 A:TRP130 4.5 40.0 1.0 ND1 A:HIS136 4.6 25.9 1.0 CG A:GLU122 4.6 29.4 1.0 CD1 A:TRP130 4.7 40.7 1.0 CG A:HIS136 4.7 27.8 1.0 CZ A:PHE107 4.7 22.6 1.0 CA A:ASP131 4.9 37.1 1.0 CD A:PRO132 5.0 34.7 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide


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 Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1300 b:34.5 occ:1.00 OD1 B:ASP131 2.2 34.6 1.0 O B:HOH1341 2.2 25.6 1.0 OE2 B:GLU122 2.3 23.2 1.0 OD2 B:ASP124 2.4 28.5 1.0 O B:HOH1331 2.4 19.7 1.0 NE2 B:HIS136 2.4 22.5 1.0 CG B:ASP131 3.1 31.8 1.0 CD B:GLU122 3.3 22.8 1.0 CE1 B:HIS136 3.3 22.4 1.0 CG B:ASP124 3.3 27.7 1.0 CD2 B:HIS136 3.5 21.8 1.0 OE1 B:GLU122 3.5 19.3 1.0 OD2 B:ASP131 3.5 33.3 1.0 CB B:ASP124 3.6 27.3 1.0 O B:HOH1328 4.1 16.3 1.0 CB B:ASP131 4.2 31.4 1.0 CA B:CA1303 4.3 27.9 1.0 OG B:SER146 4.3 25.2 1.0 O B:VAL144 4.3 30.7 1.0 OD1 B:ASP124 4.4 28.2 1.0 ND1 B:HIS136 4.5 22.5 1.0 O B:HOH1367 4.5 34.8 1.0 CG B:HIS136 4.6 22.7 1.0 CG B:GLU122 4.6 21.7 1.0 NE1 B:TRP130 4.7 32.7 1.0 CD1 B:TRP130 4.8 33.5 1.0 CD B:PRO132 4.8 29.4 1.0 CA B:ASP131 4.8 31.4 1.0 CZ B:PHE107 4.9 21.6 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide


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 Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn2300 b:37.4 occ:1.00 OD1 C:ASP131 2.2 45.3 1.0 OE2 C:GLU122 2.3 27.5 1.0 O C:HOH2356 2.3 37.3 1.0 NE2 C:HIS136 2.4 29.3 1.0 OD2 C:ASP124 2.5 39.8 1.0 O C:HOH2326 2.5 22.8 1.0 CG C:ASP131 2.9 41.9 1.0 OD2 C:ASP131 3.0 42.4 1.0 CD C:GLU122 3.1 28.2 1.0 CE1 C:HIS136 3.1 31.4 1.0 OE1 C:GLU122 3.3 26.8 1.0 CG C:ASP124 3.3 35.8 1.0 CD2 C:HIS136 3.5 29.3 1.0 CB C:ASP124 3.5 33.6 1.0 CA C:CA2303 4.2 35.2 1.0 O C:HOH2327 4.2 17.9 1.0 CB C:ASP131 4.3 40.5 1.0 OG C:SER146 4.3 39.9 1.0 OD1 C:ASP124 4.3 38.2 1.0 ND1 C:HIS136 4.4 30.7 1.0 O C:VAL144 4.4 35.1 1.0 CG C:GLU122 4.6 28.1 1.0 CG C:HIS136 4.6 30.6 1.0 O C:HOH2329 4.8 32.7 1.0 CD C:PRO132 4.8 38.0 1.0 NE1 C:TRP130 4.9 47.5 1.0 CZ C:PHE107 5.0 30.2 1.0 CD1 C:TRP130 5.0 45.2 1.0 CA C:ASP131 5.0 38.8 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide


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 Basic Winged Bean Lectin in Complex with A Blood Group Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn3300 b:42.1 occ:1.00 OE2 D:GLU122 2.2 24.6 1.0 NE2 D:HIS136 2.3 29.2 1.0 OD1 D:ASP131 2.3 37.2 1.0 O D:HOH3306 2.5 30.7 1.0 OD2 D:ASP124 2.5 28.2 1.0 O D:HOH3327 2.6 22.5 1.0 CG D:ASP131 3.1 34.0 1.0 CE1 D:HIS136 3.1 29.3 1.0 CD D:GLU122 3.3 26.5 1.0 CD2 D:HIS136 3.4 28.8 1.0 OD2 D:ASP131 3.4 30.9 1.0 CG D:ASP124 3.5 28.2 1.0 OE1 D:GLU122 3.7 26.2 1.0 CB D:ASP124 3.7 29.3 1.0 OG D:SER146 4.1 29.9 1.0 O D:HOH3326 4.2 23.0 1.0 O D:VAL144 4.3 32.8 1.0 CA D:CA3303 4.3 29.4 1.0 CB D:ASP131 4.3 33.5 1.0 ND1 D:HIS136 4.3 30.6 1.0 CG D:HIS136 4.5 29.7 1.0 OD1 D:ASP124 4.6 29.6 1.0 CG D:GLU122 4.6 27.0 1.0 O D:HOH3305 4.6 40.5 1.0 CD D:PRO132 4.7 29.9 1.0 NE1 D:TRP130 4.8 34.3 1.0 CD1 D:TRP130 4.8 34.0 1.0 CA D:ASP131 4.8 34.9 1.0

K.A.Kulkarni, S.Katiyar, A.Surolia, M.Vijayan, K.Suguna. Generation of Blood Group Specificity: New Insights From Structural Studies on the Complexes of A- and B-Reactive Saccharides with Basic Winged Bean Agglutinin. Proteins V. 68 762 2007.
ISSN: ISSN 0887-3585
PubMed: 17510954
DOI: 10.1002/PROT.21428