Chlorine in PDB 5j5j: Crystal Structure of A Chimera of Human Desmocollin-2 EC1 and Human Desmoglein-2 EC2-EC5

The structure of Crystal Structure of A Chimera of Human Desmocollin-2 EC1 and Human Desmoglein-2 EC2-EC5, PDB code: 5j5j was solved by J.Brasch, O.J.Harrison, L.Shapiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.30 / 3.29
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.494, 87.489, 218.536, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 28.5

The structure of Crystal Structure of A Chimera of Human Desmocollin-2 EC1 and Human Desmoglein-2 EC2-EC5 also contains other interesting chemical elements:

Calcium

(Ca)

11 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Chimera of Human Desmocollin-2 EC1 and Human Desmoglein-2 EC2-EC5 (pdb code 5j5j). 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 A Chimera of Human Desmocollin-2 EC1 and Human Desmoglein-2 EC2-EC5, PDB code: 5j5j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Chimera of Human Desmocollin-2 EC1 and Human Desmoglein-2 EC2-EC5


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 A Chimera of Human Desmocollin-2 EC1 and Human Desmoglein-2 EC2-EC5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl633 b:0.5 occ:1.00 HZ1 A:LYS318 2.6 0.2 1.0 HZ3 A:LYS318 3.1 0.2 1.0 NZ A:LYS318 3.2 0.0 1.0 HZ2 A:LYS318 3.6 0.2 1.0 HE2 A:LYS318 4.3 0.1 1.0 CE A:LYS318 4.4 0.5 1.0 HE3 A:LYS318 4.8 0.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Chimera of Human Desmocollin-2 EC1 and Human Desmoglein-2 EC2-EC5


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 A Chimera of Human Desmocollin-2 EC1 and Human Desmoglein-2 EC2-EC5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl634 b:0.3 occ:1.00 HE22 A:GLN498 2.3 0.5 1.0 HG A:SER479 2.8 0.7 1.0 NE2 A:GLN498 3.1 0.6 1.0 H A:PHE480 3.3 0.1 1.0 OE1 A:GLN498 3.3 0.6 1.0 HA A:SER479 3.4 0.4 1.0 O A:PHE480 3.5 0.1 1.0 OG A:SER479 3.5 0.9 1.0 CD A:GLN498 3.6 0.7 1.0 N A:PHE480 3.7 0.6 1.0 HE21 A:GLN498 3.8 0.5 1.0 CA A:SER479 4.1 0.8 1.0 C A:SER479 4.2 1.0 1.0 CB A:SER479 4.3 0.5 1.0 HB2 A:PHE480 4.3 0.0 1.0 C A:PHE480 4.4 0.1 1.0 CA A:PHE480 4.6 0.3 1.0 HB2 A:SER479 4.6 0.7 1.0 HD1 A:PHE480 4.9 0.6 1.0 CB A:PHE480 5.0 0.2 1.0

O.J.Harrison, J.Brasch, G.Lasso, P.S.Katsamba, G.Ahlsen, B.Honig, L.Shapiro. Structural Basis of Adhesive Binding By Desmocollins and Desmogleins. Proc.Natl.Acad.Sci.Usa V. 113 7160 2016.
ISSN: ESSN 1091-6490
PubMed: 27298358
DOI: 10.1073/PNAS.1606272113