Chlorine in PDB 4p0c: Crystal Structure of NHERF2 PDZ1 Domain in Complex with LPA2

The structure of Crystal Structure of NHERF2 PDZ1 Domain in Complex with LPA2, PDB code: 4p0c was solved by J.Holcomb, Y.Jiang, G.Lu, L.Trescott, J.Brunzelle, N.Sirinupong, C.Li, A.Naren, Z.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.21 / 1.34
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	26.360, 40.250, 37.100, 90.00, 107.42, 90.00
R / Rfree (%)	14.5 / 17.7

The binding sites of Chlorine atom in the Crystal Structure of NHERF2 PDZ1 Domain in Complex with LPA2 (pdb code 4p0c). 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 NHERF2 PDZ1 Domain in Complex with LPA2, PDB code: 4p0c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of NHERF2 PDZ1 Domain in Complex with LPA2


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 NHERF2 PDZ1 Domain in Complex with LPA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:47.6 occ:1.00 H A:GLN90 2.3 32.2 1.0 O A:HOH318 2.7 14.3 1.0 HB2 A:ASP89 2.7 23.6 1.0 O A:HOH243 2.8 16.4 1.0 HA3 A:GLY53 3.0 8.5 1.0 HE2 A:MET91 3.1 39.6 1.0 N A:GLN90 3.1 26.8 1.0 HA A:ASP89 3.3 20.3 1.0 O A:GLN90 3.4 39.9 1.0 O A:GLY53 3.5 9.5 1.0 CB A:ASP89 3.5 19.7 1.0 C A:GLY53 3.6 7.9 1.0 HE1 A:MET91 3.7 39.6 1.0 CE A:MET91 3.8 33.0 1.0 CA A:GLY53 3.8 7.0 1.0 CA A:ASP89 3.8 16.9 1.0 HB3 A:ASP89 3.9 23.6 1.0 C A:ASP89 3.9 21.6 1.0 HE3 A:MET91 3.9 39.6 1.0 C A:GLN90 4.0 34.7 1.0 HB3 A:GLN90 4.0 48.7 1.0 CA A:GLN90 4.1 34.1 1.0 CL A:CL103 4.2 44.8 1.0 O A:ALA52 4.2 10.9 1.0 HA2 A:GLY53 4.2 8.5 1.0 O A:HOH320 4.3 18.7 1.0 N A:ASP54 4.3 6.8 1.0 HA A:ASP54 4.4 9.2 1.0 CB A:GLN90 4.6 40.5 1.0 CG A:ASP89 4.7 25.2 1.0 H A:ASP54 4.8 8.2 1.0 N A:GLY53 4.9 7.9 1.0 HA A:GLN90 4.9 40.9 1.0 CA A:ASP54 5.0 7.6 1.0 OD1 A:ASP54 5.0 12.2 1.0 C A:ALA52 5.0 9.3 1.0 HB2 A:GLN90 5.0 48.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of NHERF2 PDZ1 Domain in Complex with LPA2


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 NHERF2 PDZ1 Domain in Complex with LPA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:44.8 occ:1.00 HE A:ARG51 1.9 22.2 1.0 HB3 A:ASP89 2.6 23.6 1.0 NE A:ARG51 2.7 18.5 1.0 HB2 A:ASP89 2.8 23.6 1.0 O A:HOH318 2.8 14.3 1.0 OD2 A:ASP89 2.9 27.9 1.0 HH21 A:ARG51 2.9 25.6 1.0 CB A:ASP89 3.0 19.7 1.0 HE3 A:MET91 3.1 39.6 1.0 CG A:ASP89 3.4 25.2 1.0 HB2 A:ARG51 3.4 15.9 1.0 HD2 A:ARG51 3.5 21.2 1.0 NH2 A:ARG51 3.5 21.4 1.0 CZ A:ARG51 3.6 20.1 1.0 HE1 A:MET91 3.6 39.6 1.0 HB3 A:ARG51 3.6 15.9 1.0 CD A:ARG51 3.7 17.6 1.0 CE A:MET91 3.8 33.0 1.0 CB A:ARG51 3.9 13.3 1.0 OD1 A:ASP54 4.0 12.2 1.0 HE2 A:MET91 4.1 39.6 1.0 CL A:CL102 4.2 47.6 1.0 HH22 A:ARG51 4.4 25.6 1.0 CG A:ARG51 4.4 15.5 1.0 HD3 A:ARG51 4.4 21.2 1.0 CA A:ASP89 4.5 16.9 1.0 HH22 A:ARG10 4.5 14.8 1.0 HA A:ASP89 4.6 20.3 1.0 OD1 A:ASP89 4.6 27.0 1.0 HG3 A:ARG51 4.7 18.6 1.0 HH12 A:ARG10 4.8 13.3 1.0 O A:ALA52 4.8 10.9 1.0 NH1 A:ARG51 4.9 23.1 1.0 NH2 A:ARG10 4.9 12.3 1.0

J.Holcomb, Y.Jiang, G.Lu, L.Trescott, J.Brunzelle, N.Sirinupong, C.Li, A.P.Naren, Z.Yang. Structural Insights Into Pdz-Mediated Interaction of NHERF2 and LPA2, A Cellular Event Implicated in Cftr Channel Regulation. Biochem.Biophys.Res.Commun. V. 446 399 2014.
ISSN: ESSN 1090-2104
PubMed: 24613836
DOI: 10.1016/J.BBRC.2014.02.128