Calcium 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:

Manganese

(Mn)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium 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 Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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:Ca227 b:10.4 occ:1.00 O A:HOH750 1.6 22.1 1.0 OD1 A:ASN125 1.7 16.6 1.0 O A:HOH751 1.8 11.9 1.0 O A:PHE123 1.9 16.0 1.0 OD1 A:ASP121 2.3 7.6 1.0 OD2 A:ASP129 2.5 18.3 1.0 OD2 A:ASP121 2.7 9.0 1.0 CG A:ASP121 2.9 6.4 1.0 CG A:ASN125 3.0 13.7 1.0 C A:PHE123 3.1 12.2 1.0 CG A:ASP129 3.5 15.2 1.0 OD1 A:ASP129 3.8 15.4 1.0 ND2 A:ASN125 3.9 13.6 1.0 CB A:ASN125 4.0 14.8 1.0 N A:ASN125 4.1 15.7 1.0 CA A:PHE123 4.1 13.1 1.0 N A:TYR124 4.2 14.5 1.0 N A:PHE123 4.2 12.6 1.0 CB A:ASP121 4.3 9.2 1.0 CB A:PHE123 4.4 10.1 1.0 MN A:MN228 4.4 15.4 1.0 NE1 A:TRP128 4.4 7.7 1.0 O A:HOH752 4.4 17.6 1.0 CA A:TYR124 4.5 14.9 1.0 O A:GLY99 4.5 9.0 1.0 C A:TYR124 4.5 15.3 1.0 O A:ASP81 4.5 12.4 1.0 CD1 A:PHE123 4.6 15.1 1.0 OD1 A:ASP81 4.6 12.6 1.0 CA A:ASN125 4.7 14.0 1.0 CB A:ASP129 4.8 14.4 1.0 CA A:GLY99 4.9 10.1 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca457 b:18.4 occ:1.00 O C:HOH768 1.6 28.3 1.0 OD1 C:ASN125 1.7 18.5 1.0 O C:HOH769 2.1 2.5 1.0 O C:PHE123 2.2 19.9 1.0 OD1 C:ASP121 2.4 15.9 1.0 OD2 C:ASP121 2.5 10.9 1.0 OD2 C:ASP129 2.6 10.5 1.0 CG C:ASP121 2.9 12.5 1.0 CG C:ASN125 3.0 17.0 1.0 C C:PHE123 3.5 15.1 1.0 CG C:ASP129 3.7 11.4 1.0 ND2 C:ASN125 3.8 17.9 1.0 CB C:ASN125 4.0 17.0 1.0 OD1 C:ASP129 4.1 10.5 1.0 O C:HOH770 4.1 28.8 1.0 N C:ASN125 4.1 16.5 1.0 O C:GLY99 4.2 6.3 1.0 OD1 C:ASP81 4.3 11.9 1.0 NE1 C:TRP128 4.3 8.8 1.0 MN C:MN458 4.3 15.1 1.0 CA C:PHE123 4.4 15.0 1.0 CB C:ASP121 4.4 13.9 1.0 N C:PHE123 4.4 12.5 1.0 N C:TYR124 4.5 16.0 1.0 CB C:PHE123 4.5 15.6 1.0 CA C:GLY99 4.6 8.4 1.0 C C:TYR124 4.6 17.7 1.0 O C:ASP81 4.6 9.9 1.0 CA C:TYR124 4.7 16.3 1.0 CA C:ASN125 4.7 16.9 1.0 CD2 C:PHE123 4.8 15.1 1.0 C C:GLY99 4.9 6.1 1.0 CB C:ASP129 5.0 13.2 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