Calcium in PDB 1ovp: Lecb (Pa-Lii) in Complex with Fructose

The structure of Lecb (Pa-Lii) in Complex with Fructose, PDB code: 1ovp was solved by R.Loris, D.Tielker, K.-E.Jaeger, L.Wyns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.40
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	53.060, 69.050, 74.090, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 19.7

The binding sites of Calcium atom in the Lecb (Pa-Lii) in Complex with Fructose (pdb code 1ovp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Lecb (Pa-Lii) in Complex with Fructose, PDB code: 1ovp:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Lecb (Pa-Lii) in Complex with Fructose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lecb (Pa-Lii) in Complex with Fructose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca116 b:6.4 occ:1.00 OD1 A:ASP101 2.4 7.8 1.0 OD1 A:ASP99 2.4 10.2 1.0 OE2 A:GLU95 2.4 6.2 1.0 OD2 A:ASP104 2.4 6.3 1.0 OE1 A:GLU95 2.4 7.0 1.0 O4 A:BDF115 2.6 6.9 1.0 OD1 A:ASP104 2.6 6.3 1.0 O3 A:BDF115 2.6 9.6 1.0 CD A:GLU95 2.7 6.6 1.0 CG A:ASP104 2.9 6.0 1.0 C3 A:BDF115 3.3 10.6 1.0 CG A:ASP99 3.3 6.1 1.0 C4 A:BDF115 3.4 6.6 1.0 CG A:ASP101 3.4 7.1 1.0 OD2 A:ASP99 3.6 9.2 1.0 CA A:CA117 3.7 7.0 1.0 OD2 A:ASP101 3.9 7.9 1.0 N A:ASP101 4.1 6.9 1.0 O A:HOH214 4.1 9.1 1.0 CG A:GLU95 4.2 6.7 1.0 OD1 A:ASP96 4.3 8.6 1.0 CB A:ASP104 4.4 8.0 1.0 N A:ASN100 4.4 11.4 1.0 N A:TYR102 4.4 6.6 1.0 N A:GLY97 4.5 7.8 1.0 N A:ASP96 4.5 6.7 1.0 CB A:ASP101 4.6 8.0 1.0 CA A:GLU95 4.7 5.2 1.0 OD1 A:ASN103 4.7 6.5 1.0 CB A:ASP99 4.7 8.3 1.0 C5 A:BDF115 4.7 8.1 1.0 CA A:ASP101 4.7 7.3 1.0 C2 A:BDF115 4.8 6.9 1.0 N A:ASP99 4.8 8.8 1.0 O5 A:BDF115 4.8 8.6 1.0 CB A:GLU95 4.8 5.2 1.0 CG A:ASP96 4.9 6.9 1.0 N A:ASP104 4.9 7.4 1.0 CA A:ASN100 5.0 8.9 1.0 C A:ASP99 5.0 10.9 1.0 CA A:GLY97 5.0 10.2 1.0 C A:ASN100 5.0 9.5 1.0

Calcium binding site 2 out of 2 in the Lecb (Pa-Lii) in Complex with Fructose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Lecb (Pa-Lii) in Complex with Fructose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca117 b:7.0 occ:1.00 OD1 A:ASN103 2.3 6.5 1.0 O A:ASN21 2.3 6.4 1.0 OD2 A:ASP101 2.4 7.9 1.0 OD1 A:ASP104 2.4 6.3 1.0 O5 A:BDF115 2.4 8.6 1.0 O4 A:BDF115 2.5 6.9 1.0 CG A:ASP101 3.1 7.1 1.0 OD1 A:ASP101 3.1 7.8 1.0 C4 A:BDF115 3.3 6.6 1.0 C5 A:BDF115 3.4 8.1 1.0 CG A:ASN103 3.4 5.2 1.0 C A:ASN21 3.5 5.6 1.0 CG A:ASP104 3.6 6.0 1.0 CA A:CA116 3.7 6.4 1.0 ND2 A:ASN103 3.8 6.3 1.0 C3 A:BDF115 4.0 10.6 1.0 N A:ASP104 4.0 7.4 1.0 CB A:ASN21 4.1 5.4 1.0 CA A:ASP104 4.1 6.1 1.0 C A:ASN103 4.4 5.9 1.0 CA A:SER22 4.4 7.5 1.0 N A:SER22 4.4 7.4 1.0 OD2 A:ASP99 4.4 9.2 1.0 CB A:ASP104 4.4 8.0 1.0 OD2 A:ASP104 4.4 6.3 1.0 CA A:ASN21 4.5 6.9 1.0 CB A:ASP101 4.5 8.0 1.0 CB A:SER22 4.5 7.8 1.0 O3 A:BDF115 4.7 9.6 1.0 CB A:ASN103 4.7 7.1 1.0 O A:ASN103 4.8 5.8 1.0 C6 A:BDF115 4.8 8.0 1.0 N A:ASN103 4.9 6.5 1.0 CA A:ASN103 4.9 6.1 1.0 OD1 A:ASP99 5.0 10.2 1.0

R.Loris, D.Tielker, K.-E.Jaeger, L.Wyns. Structural Basis of Carbohydrate Recognition By the Lectin Lecb From Pseudomonas Aeruginosa J.Mol.Biol. V. 331 861 2003.
ISSN: ISSN 0022-2836
PubMed: 12909014
DOI: 10.1016/S0022-2836(03)00754-X