Chlorine in PDB 4j6g: Crystal Structure of Light and DCR3 Complex

The structure of Crystal Structure of Light and DCR3 Complex, PDB code: 4j6g was solved by W.Liu, C.Zhan, J.B.Bonanno, R.C.Bhosle, S.G.Nathenson, S.C.Almo, Atoms-To-Animals: The Immune Function Network (Ifn), New York Structuralgenomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.40
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	149.058, 149.058, 149.058, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.2

The structure of Crystal Structure of Light and DCR3 Complex also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Light and DCR3 Complex (pdb code 4j6g). 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 Light and DCR3 Complex, PDB code: 4j6g:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Light and DCR3 Complex


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 Light and DCR3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:28.4 occ:1.00 O A:HOH404 3.1 37.1 1.0 N A:GLY230 3.2 25.1 1.0 N A:ARG232 3.3 26.4 1.0 N A:ARG228 3.3 33.3 1.0 N A:ASP229 3.4 24.6 1.0 N A:SER233 3.5 25.0 1.0 CA A:GLY230 3.7 26.3 1.0 N A:THR231 3.7 27.4 1.0 CB A:ARG232 3.7 31.7 1.0 CA A:ARG232 3.8 28.2 1.0 C A:GLY230 3.9 27.5 1.0 OD1 A:ASP229 4.0 28.9 1.0 C A:ARG232 4.0 26.1 1.0 CA A:LEU227 4.0 31.0 1.0 CA A:ARG228 4.1 33.0 1.0 C A:ARG228 4.1 29.6 1.0 C A:ASP229 4.2 25.2 1.0 CG A:ARG232 4.2 34.2 1.0 C A:LEU227 4.2 32.9 1.0 CA A:ASP229 4.3 26.1 1.0 CB A:ARG228 4.4 35.7 1.0 C A:THR231 4.4 28.6 1.0 O A:SER233 4.5 22.6 1.0 CD2 A:LEU227 4.5 34.6 1.0 CB A:SER233 4.5 24.1 1.0 CA A:SER233 4.5 24.2 1.0 CA A:THR231 4.6 26.8 1.0 CD A:ARG232 4.7 35.3 1.0 CB A:LEU227 4.7 29.3 1.0 O A:ARG226 4.8 31.0 1.0 CA A:GLY100 4.8 25.4 1.0 O A:GLY230 4.8 26.1 1.0 OG A:SER233 4.8 26.6 1.0 CG A:ASP229 5.0 29.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Light and DCR3 Complex


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 Light and DCR3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:27.4 occ:1.00 N B:GLY230 3.0 28.6 1.0 O B:HOH415 3.1 30.2 1.0 N B:ARG232 3.3 23.8 1.0 N B:ASP229 3.3 28.4 1.0 N B:ARG228 3.4 34.9 1.0 N B:SER233 3.5 22.0 1.0 CB B:ARG232 3.7 25.2 1.0 CA B:GLY230 3.7 27.6 1.0 N B:THR231 3.7 23.9 1.0 CA B:ARG232 3.8 24.0 1.0 OD1 B:ASP229 3.9 29.4 1.0 C B:GLY230 4.0 26.7 1.0 C B:ASP229 4.0 29.2 1.0 C B:ARG232 4.1 23.5 1.0 CA B:LEU227 4.1 33.0 1.0 CA B:ASP229 4.2 31.5 1.0 CG B:ARG232 4.2 29.8 1.0 C B:ARG228 4.2 31.9 1.0 CA B:ARG228 4.3 35.0 0.5 CA B:ARG228 4.3 36.1 0.5 C B:LEU227 4.3 34.6 1.0 C B:THR231 4.4 22.8 1.0 O B:SER233 4.5 23.6 1.0 CA B:SER233 4.6 22.7 1.0 CD2 B:LEU227 4.6 38.1 1.0 CB B:SER233 4.6 23.3 1.0 CA B:THR231 4.6 24.2 1.0 CB B:ARG228 4.6 36.4 0.5 CB B:ARG228 4.7 39.1 0.5 O B:ARG226 4.7 32.7 1.0 CD B:ARG232 4.7 32.9 1.0 CA B:GLY100 4.8 27.7 1.0 OG B:SER233 4.8 19.9 1.0 CB B:LEU227 4.8 35.3 1.0 O B:GLY230 4.9 25.3 1.0 CG B:ASP229 4.9 35.4 1.0

W.Liu, C.Zhan, H.Cheng, P.R.Kumar, J.B.Bonanno, S.G.Nathenson, S.C.Almo. Mechanistic Basis For Functional Promiscuity in the Tnf and Tnf Receptor Superfamilies: Structure of the Light:DCR3 Assembly. Structure V. 22 1252 2014.
ISSN: ISSN 0969-2126
PubMed: 25087510
DOI: 10.1016/J.STR.2014.06.013