Chlorine in PDB 2qsq: Crystal Structure of the N-Terminal Domain of Carcinoembryonic Antigen (Cea)

The structure of Crystal Structure of the N-Terminal Domain of Carcinoembryonic Antigen (Cea), PDB code: 2qsq was solved by I.Le Trong, N.Korotkova, S.L.Moseley, R.E.Stenkamp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.95
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	132.531, 132.531, 82.762, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 20.3

The binding sites of Chlorine atom in the Crystal Structure of the N-Terminal Domain of Carcinoembryonic Antigen (Cea) (pdb code 2qsq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the N-Terminal Domain of Carcinoembryonic Antigen (Cea), PDB code: 2qsq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the N-Terminal Domain of Carcinoembryonic Antigen (Cea)


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 the N-Terminal Domain of Carcinoembryonic Antigen (Cea) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:54.5 occ:1.00 NZ A:LYS35 2.7 41.5 0.5 O A:HOH443 2.9 38.7 0.5 O A:HOH442 3.2 65.0 1.0 N A:PHE85 3.3 38.1 1.0 CA A:GLY84 3.9 39.7 1.0 CA A:GLY36 4.0 37.5 1.0 CD1 A:PHE85 4.0 42.8 1.0 O A:PHE85 4.0 35.7 1.0 CB A:PHE85 4.0 38.1 1.0 CA A:PHE85 4.1 37.9 1.0 C A:GLY84 4.1 39.0 1.0 CE A:LYS35 4.1 39.1 1.0 N A:GLY36 4.3 36.8 1.0 CG A:PHE85 4.5 39.0 1.0 NH1 A:ARG43 4.5 47.3 1.0 C A:PHE85 4.5 36.6 1.0 NZ A:LYS35 4.6 33.2 0.5 CG A:LYS35 4.9 37.6 1.0 C A:GLY36 4.9 38.2 1.0 CD A:LYS35 5.0 38.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the N-Terminal Domain of Carcinoembryonic Antigen (Cea)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the N-Terminal Domain of Carcinoembryonic Antigen (Cea) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:50.2 occ:1.00 NZ B:LYS35 2.8 40.5 0.5 N B:PHE85 3.2 40.1 1.0 O B:HOH426 3.5 39.7 0.5 CD1 B:PHE85 3.9 45.1 1.0 CB B:PHE85 3.9 40.3 1.0 CA B:GLY84 4.0 41.1 1.0 O B:PHE85 4.0 38.1 1.0 CA B:PHE85 4.1 39.9 1.0 C B:GLY84 4.1 40.6 1.0 CA B:GLY36 4.1 35.2 1.0 CE B:LYS35 4.3 37.4 1.0 CG B:PHE85 4.4 42.5 1.0 N B:GLY36 4.5 35.2 1.0 C B:PHE85 4.5 38.6 1.0 NZ B:LYS35 4.6 31.9 0.5 O B:ALA83 4.8 42.9 1.0 CE1 B:PHE85 4.9 46.0 1.0

N.Korotkova, Y.Yang, I.Le Trong, E.Cota, B.Demeler, J.Marchant, W.E.Thomas, R.E.Stenkamp, S.L.Moseley, S.Matthews. Binding of Dr Adhesins of Escherichia Coli to Carcinoembryonic Antigen Triggers Receptor Dissociation. Mol.Microbiol. V. 67 420 2008.
ISSN: ISSN 0950-382X
PubMed: 18086185
DOI: 10.1111/J.1365-2958.2007.06054.X