Manganese in PDB 2e7t: Crystal Structure of Basic Winged Bean Lectin in Complex with A Blood Group Trisaccharide

The structure of Crystal Structure of Basic Winged Bean Lectin in Complex with A Blood Group Trisaccharide, PDB code: 2e7t 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)	29.00 / 2.65
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	157.729, 91.130, 73.718, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 24.4

The structure of Crystal Structure of Basic Winged Bean Lectin in Complex with A 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 A Blood Group Trisaccharide (pdb code 2e7t). 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 Trisaccharide, PDB code: 2e7t:
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 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 A Blood Group Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn300 b:46.8 occ:1.00 OE2 A:GLU122 2.2 35.0 1.0 OD2 A:ASP124 2.3 30.9 1.0 OD1 A:ASP131 2.3 37.6 1.0 O A:HOH635 2.4 33.5 1.0 NE2 A:HIS136 2.6 27.6 1.0 CD A:GLU122 3.2 32.4 1.0 CG A:ASP131 3.3 37.4 1.0 CG A:ASP124 3.3 30.4 1.0 OE1 A:GLU122 3.4 30.9 1.0 CE1 A:HIS136 3.4 27.6 1.0 CD2 A:HIS136 3.6 27.8 1.0 CB A:ASP124 3.7 29.7 1.0 OD2 A:ASP131 3.7 36.5 1.0 O A:HOH626 4.0 40.9 1.0 OG A:SER146 4.2 31.6 1.0 O A:VAL144 4.2 32.4 1.0 OD1 A:ASP124 4.4 31.6 1.0 CB A:ASP131 4.4 36.5 1.0 CA A:CA303 4.4 30.4 1.0 NE1 A:TRP130 4.5 41.4 1.0 O A:HOH634 4.5 41.4 1.0 CG A:GLU122 4.6 30.0 1.0 ND1 A:HIS136 4.6 26.7 1.0 CG A:HIS136 4.7 27.1 1.0 CD1 A:TRP130 4.7 41.3 1.0 CZ A:PHE107 4.9 20.6 1.0 CD A:PRO132 4.9 34.2 1.0 CA A:ASP131 5.0 35.3 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Basic Winged Bean Lectin in Complex with A 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 A Blood Group Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1300 b:35.5 occ:1.00 OD1 B:ASP131 2.2 34.4 1.0 O B:HOH1331 2.2 27.4 1.0 O B:HOH1323 2.3 26.3 1.0 OD2 B:ASP124 2.3 26.9 1.0 OE2 B:GLU122 2.4 21.9 1.0 NE2 B:HIS136 2.5 19.7 1.0 CG B:ASP131 2.8 29.9 1.0 OD2 B:ASP131 3.1 30.8 1.0 CG B:ASP124 3.3 28.2 1.0 CD B:GLU122 3.4 23.1 1.0 CE1 B:HIS136 3.5 19.3 1.0 CD2 B:HIS136 3.6 19.8 1.0 CB B:ASP124 3.6 28.8 1.0 OE1 B:GLU122 3.7 24.8 1.0 O B:HOH1321 4.0 25.6 1.0 CB B:ASP131 4.1 30.3 1.0 CA B:CA1303 4.3 27.9 1.0 O B:VAL144 4.3 29.8 1.0 OG B:SER146 4.3 24.6 1.0 OD1 B:ASP124 4.4 29.6 1.0 ND1 B:HIS136 4.6 21.4 1.0 O B:HOH1344 4.7 45.3 1.0 CG B:HIS136 4.7 20.3 1.0 CG B:GLU122 4.8 23.7 1.0 NE1 B:TRP130 4.8 35.4 1.0 CA B:ASP131 4.8 30.9 1.0 CD B:PRO132 4.8 27.9 1.0 CD1 B:TRP130 4.8 36.1 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Basic Winged Bean Lectin in Complex with A 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 A Blood Group Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn2300 b:40.3 occ:1.00 OD1 C:ASP131 2.2 39.6 1.0 O C:HOH2319 2.2 17.0 1.0 OE2 C:GLU122 2.2 32.3 1.0 NE2 C:HIS136 2.4 30.9 1.0 OD2 C:ASP124 2.4 38.2 1.0 O C:HOH2337 2.4 42.6 1.0 CG C:ASP131 3.0 38.0 1.0 CE1 C:HIS136 3.1 32.6 1.0 OD2 C:ASP131 3.2 39.3 1.0 CD C:GLU122 3.3 32.5 1.0 CG C:ASP124 3.3 36.5 1.0 CD2 C:HIS136 3.5 32.2 1.0 CB C:ASP124 3.6 34.4 1.0 OE1 C:GLU122 3.6 32.0 1.0 O C:HOH2320 4.1 19.7 1.0 OG C:SER146 4.2 36.2 1.0 CB C:ASP131 4.2 37.5 1.0 O C:VAL144 4.3 33.1 1.0 ND1 C:HIS136 4.3 31.9 1.0 CA C:CA2303 4.4 31.4 1.0 OD1 C:ASP124 4.4 38.1 1.0 CG C:HIS136 4.6 32.3 1.0 CG C:GLU122 4.6 31.3 1.0 NE1 C:TRP130 4.7 45.1 1.0 CD C:PRO132 4.8 35.9 1.0 O C:HOH2321 4.8 37.4 1.0 CD1 C:TRP130 4.8 43.6 1.0 CA C:ASP131 4.9 36.3 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Basic Winged Bean Lectin in Complex with A 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 A Blood Group Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn3300 b:41.7 occ:1.00 OD1 D:ASP131 2.2 31.9 1.0 OE2 D:GLU122 2.2 30.1 1.0 NE2 D:HIS136 2.3 29.5 1.0 O D:HOH3324 2.4 26.0 1.0 OD2 D:ASP124 2.4 29.0 1.0 O D:HOH3305 2.4 24.6 1.0 CE1 D:HIS136 3.2 29.4 1.0 CG D:ASP131 3.2 32.4 1.0 CD D:GLU122 3.3 28.9 1.0 CG D:ASP124 3.3 28.9 1.0 CD2 D:HIS136 3.4 30.3 1.0 OD2 D:ASP131 3.6 32.8 1.0 CB D:ASP124 3.7 28.5 1.0 OE1 D:GLU122 3.7 28.3 1.0 O D:HOH3323 4.2 22.4 1.0 OG D:SER146 4.2 25.3 1.0 O D:VAL144 4.3 31.6 1.0 CB D:ASP131 4.4 32.0 1.0 ND1 D:HIS136 4.4 31.7 1.0 CA D:CA3303 4.4 32.0 1.0 OD1 D:ASP124 4.4 28.5 1.0 CG D:HIS136 4.5 30.4 1.0 CG D:GLU122 4.6 27.4 1.0 CD D:PRO132 4.7 31.9 1.0 O D:HOH3304 4.7 37.2 1.0 NE1 D:TRP130 4.8 33.0 1.0 CA D:ASP131 4.9 34.1 1.0 CD1 D:TRP130 4.9 32.3 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