Manganese in PDB 1loe: X-Ray Crystal Structure Determination and Refinement at 1.9 Angstroms Resolution of Isolectin I From the Seeds of Lathyrus Ochrus

The structure of X-Ray Crystal Structure Determination and Refinement at 1.9 Angstroms Resolution of Isolectin I From the Seeds of Lathyrus Ochrus, PDB code: 1loe was solved by Y.Bourne, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	135.840, 63.120, 54.540, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / n/a

The structure of X-Ray Crystal Structure Determination and Refinement at 1.9 Angstroms Resolution of Isolectin I From the Seeds of Lathyrus Ochrus also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the X-Ray Crystal Structure Determination and Refinement at 1.9 Angstroms Resolution of Isolectin I From the Seeds of Lathyrus Ochrus (pdb code 1loe). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Crystal Structure Determination and Refinement at 1.9 Angstroms Resolution of Isolectin I From the Seeds of Lathyrus Ochrus, PDB code: 1loe:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the X-Ray Crystal Structure Determination and Refinement at 1.9 Angstroms Resolution of Isolectin I From the Seeds of Lathyrus Ochrus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Crystal Structure Determination and Refinement at 1.9 Angstroms Resolution of Isolectin I From the Seeds of Lathyrus Ochrus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn228 b:15.4 occ:1.00 O A:HOH753 1.5 41.1 1.0 O A:HOH752 1.6 17.6 1.0 OD2 A:ASP121 2.2 9.0 1.0 OD1 A:ASP129 2.3 15.4 1.0 OE2 A:GLU119 2.3 8.2 1.0 NE2 A:HIS136 2.5 6.7 1.0 CD A:GLU119 3.2 10.0 1.0 CG A:ASP121 3.3 6.4 1.0 CG A:ASP129 3.3 15.2 1.0 CD2 A:HIS136 3.3 5.8 1.0 OE1 A:GLU119 3.4 11.2 1.0 CE1 A:HIS136 3.5 6.7 1.0 CB A:ASP121 3.7 9.2 1.0 O A:HOH751 3.8 11.9 1.0 OD2 A:ASP129 3.9 18.3 1.0 OG A:SER146 4.1 9.2 1.0 OD1 A:ASP121 4.3 7.6 1.0 O A:ILE144 4.3 10.1 1.0 O A:HOH754 4.3 16.6 1.0 CA A:CA227 4.4 10.4 1.0 CB A:ASP129 4.4 14.4 1.0 CG A:HIS136 4.5 6.3 1.0 CG A:GLU119 4.6 8.4 1.0 ND1 A:HIS136 4.6 7.6 1.0 CD1 A:TRP128 4.6 7.5 1.0 CA A:ASP129 4.7 11.3 1.0 CD A:PRO130 4.8 13.3 1.0 NE1 A:TRP128 4.8 7.7 1.0

Manganese binding site 2 out of 2 in the X-Ray Crystal Structure Determination and Refinement at 1.9 Angstroms Resolution of Isolectin I From the Seeds of Lathyrus Ochrus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Crystal Structure Determination and Refinement at 1.9 Angstroms Resolution of Isolectin I From the Seeds of Lathyrus Ochrus within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn458 b:15.1 occ:1.00 O C:HOH770 1.5 28.8 1.0 O C:HOH771 1.5 22.4 1.0 OE2 C:GLU119 2.2 4.5 1.0 OD2 C:ASP121 2.2 10.9 1.0 OD1 C:ASP129 2.4 10.5 1.0 NE2 C:HIS136 2.5 10.5 1.0 CD C:GLU119 3.0 7.4 1.0 CG C:ASP121 3.1 12.5 1.0 OE1 C:GLU119 3.2 4.3 1.0 CE1 C:HIS136 3.4 11.5 1.0 CG C:ASP129 3.4 11.4 1.0 CD2 C:HIS136 3.5 11.6 1.0 CB C:ASP121 3.5 13.9 1.0 OD2 C:ASP129 3.7 10.5 1.0 O C:HOH769 3.9 2.5 1.0 OD1 C:ASP121 4.2 15.9 1.0 OG C:SER146 4.2 11.0 1.0 CA C:CA457 4.3 18.4 1.0 CG C:GLU119 4.4 6.2 1.0 ND1 C:HIS136 4.5 10.9 1.0 O C:HOH679 4.5 16.4 1.0 CD1 C:TRP128 4.6 12.3 1.0 CG C:HIS136 4.6 10.0 1.0 O C:ILE144 4.6 11.2 1.0 CB C:ASP129 4.6 13.2 1.0 NE1 C:TRP128 4.6 8.8 1.0 CD C:PRO130 4.8 15.9 1.0 CA C:ASP129 4.9 14.2 1.0

Y.Bourne, C.Abergel, C.Cambillau, M.Frey, P.Rouge, J.C.Fontecilla-Camps. X-Ray Crystal Structure Determination and Refinement at 1.9 A Resolution of Isolectin I From the Seeds of Lathyrus Ochrus. J.Mol.Biol. V. 214 571 1990.
ISSN: ISSN 0022-2836
PubMed: 2380988
DOI: 10.1016/0022-2836(90)90199-V