Chlorine in PDB 4zml: Crystal Structure of Human P-Cadherin (Ss-Dimer)

The structure of Crystal Structure of Human P-Cadherin (Ss-Dimer), PDB code: 4zml was solved by J.M.M.Caaveiro, S.Kudo, K.Tsumoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.46 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	118.950, 80.910, 49.180, 90.00, 105.75, 90.00
R / Rfree (%)	19.5 / 21.8

The structure of Crystal Structure of Human P-Cadherin (Ss-Dimer) also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human P-Cadherin (Ss-Dimer) (pdb code 4zml). 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 Human P-Cadherin (Ss-Dimer), PDB code: 4zml:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human P-Cadherin (Ss-Dimer)


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 Human P-Cadherin (Ss-Dimer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:49.6 occ:1.00 O A:HOH518 3.0 30.3 0.5 N A:ASP100 3.1 35.2 1.0 O A:HOH591 3.4 63.2 1.0 CB A:ASP100 3.7 34.5 1.0 CA A:THR99 3.7 30.7 1.0 CB A:THR99 3.9 29.8 1.0 C A:THR99 3.9 30.7 1.0 CA A:ASP100 4.0 31.9 1.0 CG2 A:THR99 4.4 32.8 1.0 CD A:ARG68 4.4 38.0 1.0 CD1 A:TYR140 4.5 64.4 1.0 CB A:ASP137 4.6 36.2 1.0 CG A:ASP137 4.6 36.1 1.0 OD2 A:ASP137 4.8 39.1 1.0 O A:VAL98 4.9 29.1 1.0 OD1 A:ASP137 4.9 39.4 1.0 O A:HOH500 4.9 42.4 1.0 O A:HOH403 5.0 49.6 1.0 O A:HOH583 5.0 58.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human P-Cadherin (Ss-Dimer)


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 Human P-Cadherin (Ss-Dimer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:47.2 occ:1.00 N A:GLU56 3.2 28.2 1.0 N A:THR57 3.6 27.7 1.0 CB A:GLU56 3.6 35.3 1.0 CB A:GLU54 3.8 33.8 1.0 N A:LYS55 3.8 31.9 1.0 CA A:GLU56 3.8 31.8 1.0 CG2 A:THR57 3.8 34.3 1.0 C A:GLU54 4.0 32.0 1.0 CG A:GLU56 4.1 39.0 1.0 O A:HOH527 4.1 40.4 1.0 C A:GLU56 4.2 30.2 1.0 OG1 A:THR57 4.2 29.0 1.0 CA A:GLU54 4.2 30.1 1.0 C A:LYS55 4.3 28.8 1.0 CA A:LYS55 4.4 33.8 1.0 OE1 A:GLU54 4.5 32.1 1.0 O A:GLU54 4.5 27.2 1.0 CB A:THR57 4.5 32.3 1.0 CA A:THR57 4.6 28.0 1.0 CB A:LYS55 4.6 42.9 1.0 CG A:GLU54 4.7 31.8 1.0 CD A:GLU54 4.8 35.3 1.0 CD A:GLU56 4.9 47.3 1.0

S.Kudo, J.M.Caaveiro, K.Tsumoto. Adhesive Dimerization of Human P-Cadherin Catalyzed By A Chaperone-Like Mechanism Structure V. 24 1523 2016.
ISSN: ISSN 0969-2126
PubMed: 27545624
DOI: 10.1016/J.STR.2016.07.002