Manganese in PDB 2e7q: Crystal Structure of Basic Winged Bean Lectin in Complex with B Blood Group Trisaccharide

The structure of Crystal Structure of Basic Winged Bean Lectin in Complex with B Blood Group Trisaccharide, PDB code: 2e7q 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)	29.74 / 2.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	157.410, 90.545, 73.324, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 25.8

The structure of Crystal Structure of Basic Winged Bean Lectin in Complex with B Blood Group Trisaccharide 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 B Blood Group Trisaccharide (pdb code 2e7q). 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 B Blood Group Trisaccharide, PDB code: 2e7q:
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 B Blood Group Trisaccharide


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 B Blood Group Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn300 b:29.3 occ:1.00 OD1 A:ASP131 2.2 36.3 1.0 O A:HOH633 2.3 26.5 1.0 O A:HOH632 2.3 33.2 1.0 NE2 A:HIS136 2.4 25.1 1.0 OD2 A:ASP124 2.4 21.8 1.0 OE2 A:GLU122 2.5 26.3 1.0 CG A:ASP131 3.1 35.1 1.0 CE1 A:HIS136 3.2 24.7 1.0 CG A:ASP124 3.3 20.7 1.0 CD A:GLU122 3.4 25.4 1.0 CD2 A:HIS136 3.4 23.8 1.0 OD2 A:ASP131 3.5 35.3 1.0 CB A:ASP124 3.5 20.7 1.0 OE1 A:GLU122 3.5 25.7 1.0 OG A:SER146 4.1 29.1 1.0 CB A:ASP131 4.2 32.0 1.0 ND1 A:HIS136 4.3 24.6 1.0 O A:HOH631 4.3 18.9 1.0 O A:VAL144 4.4 27.2 1.0 OD1 A:ASP124 4.5 21.4 1.0 CG A:HIS136 4.5 22.4 1.0 O A:HOH619 4.5 24.6 1.0 CA A:ASP131 4.7 30.3 1.0 CA A:CA303 4.7 26.1 1.0 CG A:GLU122 4.7 23.5 1.0 NE1 A:TRP130 4.8 34.9 1.0 CD A:PRO132 4.8 26.4 1.0 CD1 A:TRP130 4.9 35.1 1.0

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


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 B Blood Group Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1300 b:27.1 occ:1.00 O B:HOH1329 2.2 6.9 1.0 O B:HOH1327 2.2 23.9 1.0 OD2 B:ASP124 2.3 22.2 1.0 OD1 B:ASP131 2.3 23.5 1.0 OE2 B:GLU122 2.4 11.6 1.0 NE2 B:HIS136 2.4 12.7 1.0 CG B:ASP131 3.0 20.6 1.0 CE1 B:HIS136 3.3 13.8 1.0 CD B:GLU122 3.3 13.2 1.0 CG B:ASP124 3.3 20.7 1.0 OD2 B:ASP131 3.3 23.3 1.0 CD2 B:HIS136 3.4 14.2 1.0 OE1 B:GLU122 3.5 13.5 1.0 CB B:ASP124 3.6 18.1 1.0 O B:HOH1328 3.8 6.5 1.0 OG B:SER146 4.0 24.3 1.0 CB B:ASP131 4.2 18.6 1.0 OD1 B:ASP124 4.4 22.6 1.0 ND1 B:HIS136 4.4 15.3 1.0 O B:VAL144 4.4 24.4 1.0 CG B:HIS136 4.5 15.3 1.0 O B:HOH1347 4.6 14.0 1.0 CG B:GLU122 4.7 14.2 1.0 CA B:CA1303 4.7 19.3 1.0 NE1 B:TRP130 4.8 21.2 1.0 CA B:ASP131 4.8 16.9 1.0 CD B:PRO132 4.8 14.0 1.0 CD1 B:TRP130 4.9 21.4 1.0 CZ B:PHE107 5.0 19.4 1.0

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


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 B Blood Group Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn2300 b:38.5 occ:1.00 OE2 C:GLU122 2.2 25.1 1.0 OD1 C:ASP131 2.2 35.7 1.0 NE2 C:HIS136 2.4 26.4 1.0 O C:HOH2327 2.5 23.4 1.0 OD2 C:ASP124 2.5 25.7 1.0 CD C:GLU122 3.1 23.0 1.0 CE1 C:HIS136 3.1 27.3 1.0 OE1 C:GLU122 3.3 21.1 1.0 CG C:ASP131 3.4 35.2 1.0 CD2 C:HIS136 3.4 26.3 1.0 CG C:ASP124 3.5 26.7 1.0 OG C:SER146 3.8 31.8 1.0 CB C:ASP124 3.8 27.1 1.0 OD2 C:ASP131 4.0 34.0 1.0 O C:HOH2353 4.2 48.8 1.0 ND1 C:HIS136 4.3 26.4 1.0 O C:VAL144 4.3 29.6 1.0 CB C:ASP131 4.4 34.1 1.0 CG C:GLU122 4.4 21.9 1.0 CG C:HIS136 4.5 26.3 1.0 O C:HOH2326 4.5 24.4 1.0 CA C:CA2303 4.6 22.6 1.0 OD1 C:ASP124 4.6 26.4 1.0 CD C:PRO132 4.7 28.5 1.0 CA C:ASP131 4.9 33.6 1.0 CD1 C:TRP130 4.9 36.8 1.0 NE1 C:TRP130 4.9 38.3 1.0 CB C:SER146 4.9 28.4 1.0

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


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 B Blood Group Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn3300 b:42.5 occ:1.00 OD1 D:ASP131 2.3 34.6 1.0 OE2 D:GLU122 2.3 18.8 1.0 NE2 D:HIS136 2.4 17.9 1.0 O D:HOH3338 2.5 22.3 1.0 OD2 D:ASP124 2.5 30.7 1.0 CE1 D:HIS136 3.2 18.0 1.0 CG D:ASP131 3.2 33.0 1.0 CD D:GLU122 3.3 20.1 1.0 CG D:ASP124 3.5 30.7 1.0 CD2 D:HIS136 3.5 18.5 1.0 OE1 D:GLU122 3.7 18.5 1.0 OD2 D:ASP131 3.7 31.2 1.0 CB D:ASP124 3.8 29.1 1.0 OG D:SER146 3.9 30.0 1.0 O D:HOH3316 4.1 27.7 1.0 O D:HOH3321 4.3 10.4 1.0 O D:VAL144 4.4 25.1 1.0 CB D:ASP131 4.4 30.0 1.0 ND1 D:HIS136 4.4 18.7 1.0 CA D:CA3303 4.5 21.5 1.0 OD1 D:ASP124 4.6 30.3 1.0 CG D:HIS136 4.6 20.1 1.0 CD D:PRO132 4.6 27.4 1.0 CG D:GLU122 4.6 18.1 1.0 NE1 D:TRP130 4.7 26.7 1.0 CA D:ASP131 4.8 28.9 1.0 CD1 D:TRP130 4.8 27.9 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