Calcium in PDB 1our: Lecb (Pa-Lii) in Complex with Mannose

The structure of Lecb (Pa-Lii) in Complex with Mannose, PDB code: 1our 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 / 1.42
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	52.777, 69.184, 74.031, 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 Mannose (pdb code 1our). 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 Mannose, PDB code: 1our:
Jump to Calcium binding site number: 1; 2;

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


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 Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:9.2 occ:1.00 OE2 A:GLU95 2.4 9.6 1.0 OD1 A:ASP99 2.4 13.1 1.0 OD1 A:ASP101 2.4 12.1 1.0 OD2 A:ASP104 2.4 9.8 1.0 OE1 A:GLU95 2.5 11.0 1.0 O3 A:MAN301 2.5 11.9 1.0 OD1 A:ASP104 2.6 10.2 1.0 O4 A:MAN301 2.7 11.8 1.0 CD A:GLU95 2.7 10.6 1.0 CG A:ASP104 2.9 9.7 1.0 CG A:ASP99 3.4 11.4 1.0 C4 A:MAN301 3.4 10.4 1.0 CG A:ASP101 3.4 11.5 1.0 C3 A:MAN301 3.4 11.8 1.0 OD2 A:ASP99 3.7 12.2 1.0 CA A:CA402 3.7 8.8 1.0 OD2 A:ASP101 3.9 10.9 1.0 N A:ASP101 4.0 12.7 1.0 O A:HOH485 4.1 13.8 1.0 CG A:GLU95 4.2 9.6 1.0 OD1 A:ASP96 4.3 12.5 1.0 CB A:ASP104 4.4 10.8 1.0 N A:TYR102 4.4 10.1 1.0 N A:ASN100 4.5 13.0 1.0 N A:GLY97 4.5 10.7 1.0 N A:ASP96 4.5 8.7 1.0 CB A:ASP101 4.6 10.2 1.0 OD1 A:ASN103 4.7 10.6 1.0 CA A:GLU95 4.7 8.8 1.0 CA A:ASP101 4.7 11.2 1.0 CB A:ASP99 4.7 11.3 1.0 C2 A:MAN301 4.7 13.3 1.0 N A:ASP99 4.8 11.1 1.0 C5 A:MAN301 4.9 12.0 1.0 O2 A:MAN301 4.9 12.2 1.0 CG A:ASP96 4.9 9.4 1.0 CB A:GLU95 4.9 7.9 1.0 N A:ASP104 4.9 10.6 1.0 CA A:ASN100 4.9 12.7 1.0 C A:ASP101 5.0 10.2 1.0 C A:ASN100 5.0 14.5 1.0 C A:ASP99 5.0 13.4 1.0

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


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 Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:8.8 occ:1.00 O A:ASN21 2.4 8.9 1.0 OD1 A:ASN103 2.4 10.6 1.0 OD2 A:ASP101 2.4 10.9 1.0 O3 A:MAN301 2.4 11.9 1.0 O2 A:MAN301 2.4 12.2 1.0 OD1 A:ASP104 2.4 10.2 1.0 CG A:ASP101 3.1 11.5 1.0 OD1 A:ASP101 3.1 12.1 1.0 C3 A:MAN301 3.3 11.8 1.0 C2 A:MAN301 3.3 13.3 1.0 CG A:ASN103 3.4 9.1 1.0 C A:ASN21 3.6 8.6 1.0 CG A:ASP104 3.6 9.7 1.0 CA A:CA401 3.7 9.2 1.0 ND2 A:ASN103 3.8 9.5 1.0 C4 A:MAN301 3.9 10.4 1.0 N A:ASP104 4.0 10.6 1.0 CB A:ASN21 4.1 8.4 1.0 CA A:ASP104 4.1 8.6 1.0 C A:ASN103 4.4 7.8 1.0 N A:SER22 4.4 8.4 1.0 CA A:SER22 4.4 8.5 1.0 OD2 A:ASP99 4.4 12.2 1.0 CB A:ASP104 4.4 10.8 1.0 OD2 A:ASP104 4.5 9.8 1.0 CA A:ASN21 4.5 7.4 1.0 CB A:ASP101 4.6 10.2 1.0 CB A:SER22 4.6 10.8 1.0 O4 A:MAN301 4.6 11.8 1.0 C1 A:MAN301 4.7 9.3 1.0 CB A:ASN103 4.8 8.1 1.0 O A:ASN103 4.8 8.7 1.0 N A:ASN103 4.9 8.9 1.0 CA A:ASN103 5.0 7.6 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