Calcium in PDB 4lkf: Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wky at 1.64 A Resolution

The structure of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wky at 1.64 A Resolution, PDB code: 4lkf was solved by R.U.Kadam, A.Stocker, J.-L.Reymond, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.78 / 1.64
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	95.400, 95.400, 107.361, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 21.3

The binding sites of Calcium atom in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wky at 1.64 A Resolution (pdb code 4lkf). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wky at 1.64 A Resolution, PDB code: 4lkf:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wky at 1.64 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wky at 1.64 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:13.4 occ:1.00 O A:TYR36 2.4 12.2 1.0 O A:THR104 2.4 16.0 1.0 O4 A:GAL201 2.5 12.6 1.0 O3 A:GAL201 2.5 12.7 1.0 OD1 A:ASN108 2.5 14.3 1.0 OD2 A:ASP100 2.5 12.8 1.0 OD1 A:ASN107 2.5 14.5 1.0 C4 A:GAL201 3.4 15.4 1.0 C3 A:GAL201 3.4 15.1 1.0 C A:TYR36 3.4 13.4 1.0 CG A:ASP100 3.5 15.0 1.0 C A:THR104 3.5 16.2 1.0 CG A:ASN108 3.6 13.8 1.0 CG A:ASN107 3.6 13.8 1.0 OG1 A:THR104 3.6 15.1 1.0 OD1 A:ASP100 3.8 13.8 1.0 C2 A:GAL201 3.9 15.9 1.0 CA A:TYR36 3.9 11.5 1.0 CB A:THR104 3.9 16.2 1.0 ND2 A:ASN107 4.0 15.1 1.0 ND2 A:ASN108 4.0 14.7 1.0 CB A:TYR36 4.1 12.2 1.0 CA A:THR104 4.4 15.4 1.0 N A:TYR105 4.4 16.0 1.0 CA A:TYR105 4.5 14.9 1.0 N A:GLY37 4.5 12.5 1.0 N A:ASN108 4.6 13.4 1.0 O2 A:GAL201 4.6 17.4 1.0 O A:HOH328 4.6 22.1 1.0 C A:ASN107 4.7 12.2 1.0 C5 A:GAL201 4.8 15.1 1.0 CB A:ASN108 4.8 12.9 1.0 C A:TYR105 4.8 14.7 1.0 O A:HOH327 4.8 17.6 1.0 CA A:GLY37 4.8 13.4 1.0 CB A:ASP100 4.9 10.9 1.0 N A:ASN107 4.9 14.3 1.0 CB A:ASN107 4.9 13.9 1.0 CA A:ASN108 4.9 13.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wky at 1.64 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wky at 1.64 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:13.9 occ:1.00 O B:THR104 2.4 14.5 1.0 O B:TYR36 2.4 13.3 1.0 OD1 B:ASN108 2.4 13.4 1.0 O3 B:GAL201 2.4 13.0 1.0 OD1 B:ASN107 2.5 14.5 1.0 OD2 B:ASP100 2.5 12.5 1.0 O4 B:GAL201 2.6 12.8 1.0 C3 B:GAL201 3.4 14.9 1.0 C B:TYR36 3.4 13.1 1.0 C4 B:GAL201 3.4 16.3 1.0 CG B:ASP100 3.5 12.7 1.0 CG B:ASN108 3.5 13.5 1.0 C B:THR104 3.5 15.4 1.0 CG B:ASN107 3.6 13.9 1.0 OG1 B:THR104 3.6 15.5 1.0 OD1 B:ASP100 3.8 13.5 1.0 CA B:TYR36 3.9 10.9 1.0 ND2 B:ASN108 4.0 13.0 1.0 CB B:THR104 4.0 16.3 1.0 C2 B:GAL201 4.0 16.8 1.0 ND2 B:ASN107 4.0 14.7 1.0 CB B:TYR36 4.1 12.4 1.0 CA B:THR104 4.4 14.5 1.0 N B:TYR105 4.4 14.8 1.0 CA B:TYR105 4.5 14.8 1.0 N B:GLY37 4.5 13.2 1.0 N B:ASN108 4.6 13.7 1.0 O B:HOH331 4.6 21.9 1.0 O2 B:GAL201 4.7 16.9 1.0 C B:ASN107 4.7 13.2 1.0 CB B:ASN108 4.8 12.5 1.0 O B:HOH318 4.8 18.0 1.0 C5 B:GAL201 4.8 16.0 1.0 CA B:GLY37 4.8 13.8 1.0 C B:TYR105 4.8 14.1 1.0 CB B:ASP100 4.9 13.3 1.0 N B:ASN107 4.9 14.3 1.0 CB B:ASN107 4.9 14.6 1.0 CA B:ASN108 4.9 14.9 1.0

R.U.Kadam, M.Bergmann, D.Garg, G.Gabrieli, A.Stocker, T.Darbre, J.-L.Reymond. Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas Aeruginosa Biofilms Targeting Leca. Chemistry V. 19 17054 2013.
ISSN: ISSN 0947-6539
PubMed: 24307364
DOI: 10.1002/CHEM.201302587