Calcium in PDB 1loa: Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site

The structure of Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site, PDB code: 1loa 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 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.300, 139.800, 62.700, 90.00, 91.00, 90.00
R / Rfree (%)	17.9 / n/a

The structure of Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site also contains other interesting chemical elements:

Manganese

(Mn)

4 atoms

The binding sites of Calcium atom in the Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site (pdb code 1loa). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site, PDB code: 1loa:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca228 b:27.2 occ:1.00 O A:HOH268 1.6 24.9 1.0 O A:HOH269 1.6 11.7 1.0 O A:PHE123 1.6 16.5 1.0 OD1 A:ASN125 2.2 24.9 1.0 OD1 A:ASP121 2.4 21.4 1.0 OD2 A:ASP129 2.8 19.9 1.0 OD2 A:ASP121 2.8 23.5 1.0 C A:PHE123 2.9 16.3 1.0 CG A:ASP121 3.0 20.9 1.0 CG A:ASN125 3.4 21.6 1.0 CG A:ASP129 3.8 21.0 1.0 CA A:PHE123 3.8 16.8 1.0 N A:PHE123 4.0 18.6 1.0 N A:TYR124 4.0 15.5 1.0 OD1 A:ASP129 4.1 17.2 1.0 CB A:PHE123 4.1 17.3 1.0 OD1 A:ASP81 4.1 23.7 1.0 N A:ASN125 4.1 20.6 1.0 CB A:ASN125 4.2 21.3 1.0 ND2 A:ASN125 4.4 22.2 1.0 CA A:TYR124 4.4 19.6 1.0 C A:TYR124 4.4 20.7 1.0 CB A:ASP121 4.4 19.7 1.0 O A:ASP81 4.5 18.5 1.0 O A:HOH276 4.6 22.0 1.0 O A:GLY99 4.6 17.9 1.0 CA A:GLY99 4.7 15.3 1.0 MN A:MN229 4.7 30.8 1.0 CD2 A:PHE123 4.8 16.7 1.0 NE1 A:TRP128 4.8 30.6 1.0 CA A:ASN125 4.8 21.0 1.0 CG A:PHE123 5.0 19.9 1.0 CE1 A:HIS136 5.0 15.5 1.0

Calcium binding site 2 out of 4 in the Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca458 b:36.8 occ:1.00 O C:HOH490 1.5 71.3 1.0 O C:HOH491 1.6 30.9 1.0 OD1 C:ASN125 1.7 48.0 1.0 O C:PHE123 1.9 39.3 1.0 OD1 C:ASP121 2.5 34.1 1.0 CG C:ASN125 2.9 43.7 1.0 C C:PHE123 3.1 38.2 1.0 OD2 C:ASP129 3.3 35.8 1.0 CG C:ASP121 3.4 35.0 1.0 OD2 C:ASP121 3.5 35.6 1.0 ND2 C:ASN125 3.7 43.7 1.0 N C:ASN125 4.0 36.4 1.0 OD1 C:ASP81 4.0 39.4 1.0 CA C:PHE123 4.1 36.3 1.0 CB C:ASN125 4.1 41.8 1.0 N C:TYR124 4.1 38.5 1.0 N C:PHE123 4.1 35.4 1.0 CG C:ASP129 4.2 33.4 1.0 O C:GLY99 4.2 27.9 1.0 CB C:PHE123 4.3 38.9 1.0 CA C:TYR124 4.3 38.5 1.0 C C:TYR124 4.4 37.5 1.0 CD2 C:PHE123 4.4 38.8 1.0 OD1 C:ASP129 4.5 31.6 1.0 O C:ASP81 4.5 33.6 1.0 CA C:GLY99 4.6 30.3 1.0 MN C:MN459 4.7 41.9 1.0 CA C:ASN125 4.7 38.5 1.0 CB C:ASP121 4.7 32.2 1.0 NE1 C:TRP128 4.8 42.6 1.0 CG C:PHE123 4.9 39.4 1.0 C C:GLY99 4.9 28.0 1.0

Calcium binding site 3 out of 4 in the Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca688 b:56.0 occ:1.00 O E:HOH713 1.5 39.6 1.0 O E:HOH714 1.5 34.5 1.0 OD1 E:ASN125 1.6 31.0 1.0 O E:PHE123 2.6 28.6 1.0 OD1 E:ASP121 2.7 15.5 1.0 CG E:ASN125 2.8 30.0 1.0 OD2 E:ASP129 2.9 29.3 1.0 CG E:ASP121 3.5 20.2 1.0 ND2 E:ASN125 3.6 30.9 1.0 OD2 E:ASP121 3.6 18.6 1.0 OD1 E:ASP81 3.6 26.5 1.0 C E:PHE123 3.7 26.5 1.0 O E:GLY99 3.9 28.0 1.0 CG E:ASP129 3.9 30.2 1.0 CB E:ASN125 3.9 31.3 1.0 CA E:GLY99 4.0 26.6 1.0 O E:ASP81 4.0 25.1 1.0 O E:HOH715 4.1 47.9 1.0 OD1 E:ASP129 4.1 30.8 1.0 N E:ASN125 4.4 28.7 1.0 CB E:PHE123 4.4 24.8 1.0 C E:GLY99 4.4 27.5 1.0 NE1 E:TRP128 4.5 28.1 1.0 CA E:PHE123 4.5 26.5 1.0 N E:PHE123 4.7 27.6 1.0 CZ2 E:TRP128 4.7 28.0 1.0 CD1 E:PHE123 4.8 26.4 1.0 N E:TYR124 4.8 28.9 1.0 CG E:ASP81 4.8 26.4 1.0 CA E:ASN125 4.8 31.6 1.0 CB E:ASP121 4.9 21.3 1.0 O4 E:GYP182 4.9 32.7 1.0 CE2 E:TRP128 4.9 28.2 1.0 C E:TYR124 5.0 29.6 1.0

Calcium binding site 4 out of 4 in the Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca918 b:33.7 occ:1.00 O G:HOH946 1.5 41.6 1.0 O G:HOH947 1.6 14.8 1.0 OD1 G:ASN125 1.7 32.4 1.0 O G:PHE123 2.0 22.4 1.0 OD1 G:ASP121 2.7 24.8 1.0 OD2 G:ASP129 2.7 32.8 1.0 CG G:ASN125 2.9 32.2 1.0 OD2 G:ASP121 3.0 25.0 1.0 CG G:ASP121 3.2 21.4 1.0 C G:PHE123 3.2 24.1 1.0 CG G:ASP129 3.6 32.4 1.0 ND2 G:ASN125 3.7 29.5 1.0 OD1 G:ASP129 3.7 32.5 1.0 N G:ASN125 4.0 28.6 1.0 CB G:ASN125 4.1 29.7 1.0 OD1 G:ASP81 4.2 38.4 1.0 CA G:PHE123 4.2 22.9 1.0 N G:TYR124 4.3 26.6 1.0 N G:PHE123 4.3 24.1 1.0 O G:GLY99 4.3 22.7 1.0 CB G:PHE123 4.4 21.8 1.0 O G:HOH948 4.5 17.5 1.0 CA G:TYR124 4.5 27.8 1.0 NE1 G:TRP128 4.5 35.9 1.0 MN G:MN919 4.5 28.9 1.0 C G:TYR124 4.6 28.3 1.0 CB G:ASP121 4.6 20.7 1.0 O G:ASP81 4.7 31.9 1.0 CA G:GLY99 4.7 24.6 1.0 CA G:ASN125 4.7 30.3 1.0 CD2 G:PHE123 4.7 20.4 1.0 CB G:ASP129 4.9 34.5 1.0 CZ2 G:TRP128 5.0 35.0 1.0

Y.Bourne, A.Roussel, M.Frey, P.Rouge, J.C.Fontecilla-Camps, C.Cambillau. Three-Dimensional Structures of Complexes of Lathyrus Ochrus Isolectin I with Glucose and Mannose: Fine Specificity of the Monosaccharide-Binding Site. Proteins V. 8 365 1990.
ISSN: ISSN 0887-3585
PubMed: 2091026
DOI: 10.1002/PROT.340080410