Manganese in PDB 3ul2: Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group

The structure of Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group, PDB code: 3ul2 was solved by K.N.Shetty, V.L.Latha, R.N.Rao, S.K.Nadimpalli, K.Suguna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.50
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.496, 90.496, 514.240, 90.00, 90.00, 120.00
R / Rfree (%)	27.3 / 29.6

The structure of Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group (pdb code 3ul2). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group, PDB code: 3ul2:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:44.3 occ:1.00 OD1 A:ASP156 2.1 43.3 1.0 O A:HOH402 2.1 20.1 1.0 NE2 A:HIS161 2.2 33.1 1.0 O A:HOH401 2.2 21.6 1.0 OE2 A:GLU146 2.2 32.8 1.0 OD2 A:ASP148 2.3 35.0 1.0 CE1 A:HIS161 3.1 33.1 1.0 CG A:ASP156 3.1 43.8 1.0 CD2 A:HIS161 3.2 33.6 1.0 CD A:GLU146 3.3 32.0 1.0 CG A:ASP148 3.3 35.3 1.0 OD2 A:ASP156 3.6 42.6 1.0 OE1 A:GLU146 3.6 31.6 1.0 O A:HOH407 3.7 27.5 1.0 CB A:ASP148 3.7 35.3 1.0 OG A:SER171 4.2 35.8 1.0 ND1 A:HIS161 4.2 33.7 1.0 O A:HOH408 4.3 34.7 1.0 CA A:CA301 4.3 34.0 1.0 CB A:ASP156 4.3 44.4 1.0 CG A:HIS161 4.3 34.2 1.0 CD1 A:TRP155 4.3 44.0 1.0 OD1 A:ASP148 4.4 35.0 1.0 NE1 A:TRP155 4.4 44.0 1.0 O A:ILE169 4.4 36.3 1.0 CG A:GLU146 4.6 31.8 1.0 CD A:PRO157 4.6 44.6 1.0 CA A:ASP156 4.6 44.5 1.0

Manganese binding site 2 out of 4 in the Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:52.3 occ:1.00 OD2 B:ASP148 2.1 35.0 1.0 OE2 B:GLU146 2.1 32.7 1.0 NE2 B:HIS161 2.1 33.0 1.0 OD1 B:ASP156 2.2 43.3 1.0 O B:HOH402 2.2 21.0 1.0 O B:HOH401 2.2 21.4 1.0 CE1 B:HIS161 3.0 33.1 1.0 CG B:ASP148 3.1 35.2 1.0 CG B:ASP156 3.2 43.8 1.0 CD B:GLU146 3.2 31.9 1.0 CD2 B:HIS161 3.2 33.5 1.0 CB B:ASP148 3.5 35.3 1.0 OE1 B:GLU146 3.6 31.6 1.0 OD2 B:ASP156 3.6 42.5 1.0 O B:HOH403 4.0 30.1 1.0 CA B:CA301 4.1 39.1 1.0 ND1 B:HIS161 4.2 33.7 1.0 OD1 B:ASP148 4.2 35.0 1.0 CG B:HIS161 4.3 34.2 1.0 OG B:SER171 4.3 35.7 1.0 CB B:ASP156 4.4 44.5 1.0 CG B:GLU146 4.5 31.8 1.0 CD1 B:TRP155 4.5 44.0 1.0 NE1 B:TRP155 4.5 44.1 1.0 O B:ILE169 4.5 36.2 1.0 CD B:PRO157 4.7 44.6 1.0 CA B:ASP156 4.8 44.5 1.0

Manganese binding site 3 out of 4 in the Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn302 b:46.1 occ:1.00 OE2 C:GLU146 2.0 32.7 1.0 NE2 C:HIS161 2.1 32.9 1.0 O C:HOH402 2.1 18.8 1.0 O C:HOH401 2.2 33.5 1.0 OD2 C:ASP148 2.2 34.9 1.0 OD1 C:ASP156 2.3 43.2 1.0 CD C:GLU146 3.0 31.9 1.0 CE1 C:HIS161 3.1 33.1 1.0 CD2 C:HIS161 3.1 33.6 1.0 CG C:ASP148 3.2 35.2 1.0 CG C:ASP156 3.3 43.7 1.0 OE1 C:GLU146 3.5 31.6 1.0 CB C:ASP148 3.5 35.4 1.0 O C:HOH404 3.7 26.5 1.0 OD2 C:ASP156 3.8 42.5 1.0 OG C:SER171 4.1 35.7 1.0 ND1 C:HIS161 4.2 33.6 1.0 CG C:HIS161 4.2 34.2 1.0 OD1 C:ASP148 4.3 34.9 1.0 CG C:GLU146 4.3 31.8 1.0 CA C:CA301 4.5 36.3 1.0 CB C:ASP156 4.5 44.4 1.0 O C:ILE169 4.5 36.2 1.0 CD1 C:TRP155 4.6 44.0 1.0 NE1 C:TRP155 4.6 44.0 1.0 CD C:PRO157 4.7 44.6 1.0 CA C:ASP156 4.9 44.5 1.0

Manganese binding site 4 out of 4 in the Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Galactose-Specific Lectin From Dolichos Lablab in P6522 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn302 b:51.5 occ:1.00 NE2 D:HIS161 2.0 33.0 1.0 OE2 D:GLU146 2.0 32.8 1.0 O D:HOH403 2.1 27.0 1.0 O D:HOH404 2.3 34.9 1.0 OD2 D:ASP148 2.3 34.9 1.0 OD1 D:ASP156 2.3 43.3 1.0 CE1 D:HIS161 3.0 33.1 1.0 CD2 D:HIS161 3.0 33.5 1.0 CD D:GLU146 3.1 31.9 1.0 CG D:ASP148 3.2 35.3 1.0 CG D:ASP156 3.3 43.8 1.0 CB D:ASP148 3.6 35.3 1.0 OE1 D:GLU146 3.6 31.6 1.0 OD2 D:ASP156 3.8 42.5 1.0 O D:HOH401 3.9 30.9 1.0 ND1 D:HIS161 4.1 33.6 1.0 CG D:HIS161 4.1 34.2 1.0 OG D:SER171 4.2 35.6 1.0 OD1 D:ASP148 4.4 35.0 1.0 CG D:GLU146 4.4 31.7 1.0 CA D:CA301 4.5 36.1 1.0 CB D:ASP156 4.5 44.5 1.0 O D:ILE169 4.6 36.2 1.0 CD1 D:TRP155 4.6 44.0 1.0 CD D:PRO157 4.6 44.6 1.0 NE1 D:TRP155 4.7 44.0 1.0 CA D:ASP156 4.8 44.6 1.0

K.N.Shetty, V.L.Latha, R.N.Rao, S.K.Nadimpalli, K.Suguna. Affinity of A Galactose-Specific Legume Lectin From Dolichos Lablab to Adenine Revealed By X-Ray Cystallography. Iubmb Life V. 65 633 2013.
ISSN: ISSN 1521-6543
PubMed: 23794513
DOI: 10.1002/IUB.1177