Chlorine in PDB 4jl7: Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First Pdz Domain of NHERF1

The structure of Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First Pdz Domain of NHERF1, PDB code: 4jl7 was solved by G.Lu, Y.Wu, Y.Jiang, J.Brunzelle, N.Sirinupong, C.Li, Z.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.16
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	50.360, 50.360, 65.982, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 20.8

The binding sites of Chlorine atom in the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First Pdz Domain of NHERF1 (pdb code 4jl7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First Pdz Domain of NHERF1, PDB code: 4jl7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First Pdz Domain of NHERF1


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 Chemokine Receptor CXCR2 in Complex with the First Pdz Domain of NHERF1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:13.9 occ:1.00 O A:HOH370 3.4 30.9 1.0 N A:LEU41 3.4 11.1 1.0 CB A:ARG40 3.6 12.6 1.0 CA A:ARG40 3.7 10.6 1.0 CB A:ALA55 3.9 11.9 1.0 CG A:ARG40 4.0 15.7 1.0 C A:ARG40 4.1 10.1 1.0 CD A:ARG40 4.1 19.3 1.0 CG A:LEU41 4.2 13.1 1.0 CA A:LEU41 4.4 11.1 1.0 CD2 A:LEU41 4.7 15.4 1.0 CB A:LEU41 4.8 11.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First Pdz Domain of NHERF1


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 Chemokine Receptor CXCR2 in Complex with the First Pdz Domain of NHERF1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:19.7 occ:1.00 ND1 A:HIS27 3.2 17.1 1.0 NH1 A:ARG40 3.2 15.6 1.0 NE A:ARG40 3.5 14.6 1.0 CB A:HIS27 3.5 10.8 1.0 CZ A:ARG40 3.8 15.4 1.0 CG A:HIS27 3.8 15.0 1.0 CB A:HIS29 4.0 13.3 1.0 CB A:ARG40 4.3 12.6 1.0 O A:LEU28 4.3 11.0 1.0 CE1 A:HIS27 4.3 17.5 1.0 C A:LEU28 4.6 9.5 1.0 CG A:ARG40 4.6 15.7 1.0 CD A:ARG40 4.6 19.3 1.0 ND1 A:HIS29 4.7 16.8 1.0 N A:LEU28 4.7 9.6 1.0 CG A:HIS29 4.7 14.8 1.0 CA A:HIS27 4.7 9.6 1.0 CA A:HIS29 4.8 11.6 1.0 C A:HIS27 4.8 10.3 1.0 CD1 A:LEU41 4.8 15.4 1.0 N A:HIS29 4.9 9.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First Pdz Domain of NHERF1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First Pdz Domain of NHERF1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:15.6 occ:1.00 NH1 A:ARG40 3.3 15.6 1.0 O A:HOH382 3.3 39.6 1.0 CE1 A:HIS29 3.5 18.1 1.0 NH2 A:ARG40 3.9 18.1 1.0 ND1 A:HIS29 3.9 16.8 1.0 CZ A:ARG40 4.0 15.4 1.0 NE2 A:HIS29 4.3 18.1 1.0 CG A:HIS29 5.0 14.8 1.0

G.Lu, Y.Wu, Y.Jiang, S.Wang, Y.Hou, X.Guan, J.Brunzelle, N.Sirinupong, S.Sheng, C.Li, Z.Yang. Structural Insights Into Neutrophilic Migration Revealed By the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First Pdz Domain of NHERF1. Plos One V. 8 76219 2013.
ISSN: ESSN 1932-6203
PubMed: 24098448
DOI: 10.1371/JOURNAL.PONE.0076219