Manganese in PDB 1jxn: Crystal Structure of the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose

The structure of Crystal Structure of the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose, PDB code: 1jxn was solved by G.F.Audette, D.J.H.Olson, A.R.S.Ross, J.W.Quail, L.T.J.Delbaere, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.810, 69.000, 119.020, 90.00, 106.76, 90.00
R / Rfree (%)	20.2 / 28.9

The structure of Crystal Structure of the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Crystal Structure of the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose (pdb code 1jxn). 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 the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose, PDB code: 1jxn:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose


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 the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn245 b:22.8 occ:1.00 O A:HOH516 2.2 18.5 1.0 O A:HOH515 2.2 9.6 1.0 OE1 A:GLU125 2.2 17.7 1.0 OD1 A:ASP127 2.3 13.4 1.0 OD2 A:ASP137 2.4 26.4 1.0 NE2 A:HIS142 2.7 19.7 1.0 CD A:GLU125 3.0 12.2 1.0 OE2 A:GLU125 3.0 6.7 1.0 CE1 A:HIS142 3.1 16.1 1.0 CG A:ASP137 3.1 24.6 1.0 CG A:ASP127 3.3 13.8 1.0 OD1 A:ASP137 3.4 28.6 1.0 CB A:ASP127 3.6 12.5 1.0 O A:HOH517 4.0 13.1 1.0 CD2 A:HIS142 4.0 16.3 1.0 CA A:CA246 4.1 16.7 1.0 O A:VAL150 4.2 19.9 1.0 CB A:ASP137 4.3 21.1 1.0 OG A:SER152 4.3 14.1 1.0 ND1 A:HIS142 4.3 12.3 1.0 OD2 A:ASP127 4.4 12.7 1.0 CG A:GLU125 4.4 12.7 1.0 CG A:HIS142 4.8 13.4 1.0 CE1 A:PHE107 4.8 23.3 1.0 NE1 A:TRP136 4.8 13.7 1.0 CD1 A:TRP136 4.9 16.5 1.0 CA A:ASP137 5.0 20.4 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose


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 the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn245 b:20.4 occ:1.00 NE2 B:HIS142 2.1 14.2 1.0 O B:HOH620 2.1 11.2 1.0 OE1 B:GLU125 2.4 22.5 1.0 OD2 B:ASP127 2.4 21.9 1.0 OD2 B:ASP137 2.6 25.7 1.0 O B:HOH642 2.6 13.9 1.0 CE1 B:HIS142 2.9 11.4 1.0 CG B:ASP127 3.3 21.0 1.0 CD2 B:HIS142 3.3 14.0 1.0 CD B:GLU125 3.3 18.1 1.0 CG B:ASP137 3.3 25.8 1.0 CB B:ASP127 3.3 15.8 1.0 CB B:ASP137 3.4 24.9 1.0 OE2 B:GLU125 3.5 12.0 1.0 O B:HOH641 4.1 25.1 1.0 ND1 B:HIS142 4.1 14.9 1.0 CG B:HIS142 4.3 12.8 1.0 OG B:SER152 4.3 27.3 1.0 CA B:ASP137 4.4 23.3 1.0 OD1 B:ASP127 4.5 22.1 1.0 OD1 B:ASP137 4.5 23.3 1.0 CA B:CA246 4.5 18.0 1.0 CD B:PRO138 4.6 21.7 1.0 CG B:GLU125 4.6 19.0 1.0 O B:VAL150 4.7 21.4 1.0 CA B:ASP127 4.9 18.6 1.0 O B:HOH619 4.9 25.7 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose


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 the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn245 b:19.1 occ:1.00 OD2 C:ASP137 1.9 23.5 1.0 O C:HOH919 2.0 4.1 1.0 O C:HOH918 2.2 10.8 1.0 NE2 C:HIS142 2.5 14.9 1.0 OD1 C:ASP127 2.5 18.9 1.0 OE1 C:GLU125 2.5 12.1 1.0 OE2 C:GLU125 3.0 9.8 1.0 CG C:ASP137 3.1 24.2 1.0 CD C:GLU125 3.1 9.3 1.0 CE1 C:HIS142 3.4 16.3 1.0 CG C:ASP127 3.5 20.6 1.0 CD2 C:HIS142 3.5 17.2 1.0 OD1 C:ASP137 3.7 24.5 1.0 OG C:SER152 3.8 22.8 1.0 CB C:ASP127 3.8 18.1 1.0 CB C:ASP137 4.2 22.4 1.0 CA C:CA246 4.3 21.5 1.0 NE1 C:TRP136 4.3 26.0 1.0 O C:VAL150 4.3 27.3 1.0 O C:HOH916 4.3 9.9 1.0 CD1 C:TRP136 4.5 25.6 1.0 ND1 C:HIS142 4.6 18.9 1.0 CG C:GLU125 4.6 12.6 1.0 OD2 C:ASP127 4.6 19.0 1.0 CG C:HIS142 4.7 15.9 1.0 CA C:ASP137 4.7 19.6 1.0 CE1 C:PHE107 4.9 26.2 1.0 CD C:PRO138 5.0 18.6 1.0 CB C:SER152 5.0 24.2 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose


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 the Lectin I From Ulex Europaeus in Complex with the Methyl Glycoside of Alpha-L-Fucose within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn245 b:20.9 occ:1.00 NE2 D:HIS142 1.9 14.2 1.0 OD1 D:ASP137 2.1 30.5 1.0 O D:HOH823 2.2 17.6 1.0 OE1 D:GLU125 2.3 24.2 1.0 OD2 D:ASP127 2.4 9.1 1.0 O D:HOH822 2.6 16.2 1.0 CD2 D:HIS142 2.9 14.2 1.0 CE1 D:HIS142 3.0 13.6 1.0 CG D:ASP137 3.0 28.0 1.0 CD D:GLU125 3.3 17.4 1.0 CG D:ASP127 3.3 8.7 1.0 OD2 D:ASP137 3.5 31.2 1.0 CB D:ASP127 3.6 4.9 1.0 OE2 D:GLU125 3.7 15.8 1.0 CB D:ASP137 4.0 23.5 1.0 CG D:HIS142 4.0 11.4 1.0 ND1 D:HIS142 4.1 14.7 1.0 OG D:SER152 4.2 19.8 1.0 CA D:CA246 4.4 19.9 1.0 O D:VAL150 4.5 20.0 1.0 OD1 D:ASP127 4.5 10.4 1.0 O D:HOH820 4.5 19.6 1.0 CG D:GLU125 4.6 16.5 1.0 CA D:ASP137 4.7 19.3 1.0 CD D:PRO138 4.8 17.4 1.0 NE1 D:TRP136 4.9 18.2 1.0 CD1 D:TRP136 4.9 17.2 1.0

G.F.Audette, D.J.H.Olson, A.R.S.Ross, J.W.Quail, L.T.J.Delbaere. Examination of the Structural Basis For O(H) Blood Group Specificity By Ulex Europaeus Lectin I Can.J.Chem. V. 80 1010 2002.
ISSN: ISSN 0008-4042
DOI: 10.1139/V02-134