Chlorine in PDB 4cpb: Crystal Structure of Leca in Complex with A Divalent Galactoside at 1.57 Angstrom in Magnesium

The structure of Crystal Structure of Leca in Complex with A Divalent Galactoside at 1.57 Angstrom in Magnesium, PDB code: 4cpb was solved by J.Topin, A.Varrot, A.Imberty, N.Wissinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.97 / 1.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.666, 65.393, 159.869, 90.00, 90.00, 90.00
R / Rfree (%)	16.331 / 19.138

The structure of Crystal Structure of Leca in Complex with A Divalent Galactoside at 1.57 Angstrom in Magnesium also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Leca in Complex with A Divalent Galactoside at 1.57 Angstrom in Magnesium (pdb code 4cpb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Leca in Complex with A Divalent Galactoside at 1.57 Angstrom in Magnesium, PDB code: 4cpb:

Chlorine binding site 1 out of 1 in the Crystal Structure of Leca in Complex with A Divalent Galactoside at 1.57 Angstrom in Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Leca in Complex with A Divalent Galactoside at 1.57 Angstrom in Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1126 b:30.2 occ:1.00 O D:HOH2009 3.0 40.6 1.0 N D:LEU7 3.2 24.8 1.0 ND2 D:ASN10 3.3 28.3 1.0 NE2 D:GLN14 3.7 49.1 1.0 CB D:LEU7 3.8 26.9 1.0 CB D:ASN10 3.9 27.2 1.0 CB D:GLN14 3.9 28.1 1.0 CA D:VAL6 3.9 25.2 0.6 CG D:ASN10 4.0 27.0 1.0 CA D:VAL6 4.1 25.2 0.4 CA D:LEU7 4.1 25.4 1.0 CG D:LEU7 4.1 31.6 1.0 C D:VAL6 4.1 25.9 0.6 C D:VAL6 4.1 25.6 0.4 O D:GLY13 4.2 28.8 1.0 C D:GLY13 4.2 27.9 1.0 CG2 D:VAL6 4.2 27.4 0.6 O D:GLU5 4.3 28.8 1.0 N D:GLN14 4.4 27.1 1.0 CA D:GLN14 4.4 27.2 1.0 CD D:GLN14 4.5 36.5 1.0 O D:LEU7 4.5 25.3 1.0 CB D:VAL6 4.6 25.7 0.6 CG1 D:VAL6 4.6 26.6 0.4 CG D:GLN14 4.7 31.6 1.0 CD1 D:LEU7 4.8 31.8 1.0 C D:LEU7 4.8 26.1 1.0 CA D:GLY13 4.9 27.8 1.0 N D:VAL6 4.9 25.6 0.6 N D:VAL6 5.0 25.7 0.4 O D:HOH2026 5.0 44.7 1.0

A.Novoa, T.Eierhoff, J.Topin, A.Varrot, S.Barluenga, A.Imberty, W.Romer, N.Winssinger. A Leca Ligand Identified From A Galactoside-Conjugate Array Inhibits Host Cell Invasion By Pseudomonas Aeruginosa. Angew.Chem.Int.Ed.Engl. V. 53 8885 2014.
ISSN: ISSN 1433-7851
PubMed: 25044671
DOI: 10.1002/ANIE.201402831