Chlorine in PDB 6q0m: Structure of Erbin Pdz Derivative E-14 with A High-Affinity Peptide

The structure of Structure of Erbin Pdz Derivative E-14 with A High-Affinity Peptide, PDB code: 6q0m was solved by A.U.Singer, J.Teyra, A.Ernst, F.Sicheri, S.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.60 / 1.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	34.000, 36.040, 38.650, 84.33, 76.95, 66.66
R / Rfree (%)	15.6 / 18.5

The structure of Structure of Erbin Pdz Derivative E-14 with A High-Affinity Peptide also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Structure of Erbin Pdz Derivative E-14 with A High-Affinity Peptide (pdb code 6q0m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Erbin Pdz Derivative E-14 with A High-Affinity Peptide, PDB code: 6q0m:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Erbin Pdz Derivative E-14 with A High-Affinity Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Erbin Pdz Derivative E-14 with A High-Affinity Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:52.1 occ:1.00 H B:ASN82 2.2 24.7 1.0 O B:HOH276 2.3 55.0 1.0 HB3 B:PHE80 2.7 24.3 1.0 O B:THR83 2.9 16.7 1.0 H B:GLN81 2.9 26.0 0.4 H B:GLN81 3.0 26.1 0.6 N B:ASN82 3.0 20.6 1.0 HB2 B:ASN82 3.1 23.6 1.0 H B:THR83 3.1 20.2 1.0 N B:THR83 3.3 16.9 1.0 C B:ASN82 3.4 18.1 1.0 HD21 B:ASN61 3.5 19.7 1.0 N B:GLN81 3.5 21.6 0.4 CA B:ASN82 3.5 19.2 1.0 N B:GLN81 3.5 21.8 0.6 CB B:PHE80 3.6 20.2 1.0 HD1 B:PHE80 3.7 28.0 1.0 C B:THR83 3.7 16.6 1.0 CB B:ASN82 3.7 19.7 1.0 O B:HOH255 3.8 29.7 1.0 HA B:PHE80 3.8 23.4 1.0 CA B:THR83 4.1 17.5 1.0 C B:GLN81 4.1 22.4 0.6 C B:GLN81 4.1 22.0 0.4 HD22 B:ASN61 4.1 19.7 1.0 CA B:PHE80 4.1 19.5 1.0 ND2 B:ASN61 4.1 16.4 1.0 C B:PHE80 4.1 20.3 1.0 O B:HOH260 4.2 40.4 1.0 O B:ASN82 4.2 18.8 1.0 CD1 B:PHE80 4.2 23.4 1.0 CG B:PHE80 4.3 22.4 1.0 HB2 B:PHE80 4.3 24.3 1.0 CA B:GLN81 4.3 23.6 0.6 CA B:GLN81 4.3 23.1 0.4 HD22 B:ASN82 4.4 30.9 1.0 HB3 B:ASN82 4.4 23.6 1.0 HA B:ASN82 4.5 23.0 1.0 HB B:THR83 4.5 24.7 1.0 HB2 B:GLN81 4.5 31.5 0.6 HG22 B:VAL84 4.6 21.3 1.0 HB2 B:GLN81 4.6 30.4 0.4 HG23 B:VAL84 4.7 21.3 1.0 CG B:ASN82 4.7 23.1 1.0 O B:HOH292 4.7 53.1 1.0 O B:HOH287 4.8 48.6 1.0 N B:VAL84 4.8 14.8 1.0 HA B:THR83 4.8 21.0 1.0 ND2 B:ASN82 4.8 25.8 1.0 CB B:THR83 4.9 20.6 1.0 HA B:VAL84 4.9 17.0 1.0 O B:HOH271 5.0 28.2 1.0

Chlorine binding site 2 out of 2 in the Structure of Erbin Pdz Derivative E-14 with A High-Affinity Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Erbin Pdz Derivative E-14 with A High-Affinity Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:66.8 occ:1.00 HH22 B:ARG5 1.9 18.0 1.0 NH2 B:ARG5 2.8 15.0 1.0 HH12 B:ARG5 2.8 16.9 1.0 HH21 B:ARG5 3.3 18.0 1.0 NH1 B:ARG5 3.4 14.1 1.0 CZ B:ARG5 3.5 13.3 1.0 O B:HOH213 3.5 32.7 1.0 HH11 B:ARG5 4.2 16.9 1.0 O B:HOH249 4.3 33.8 1.0 NE B:ARG5 4.8 12.5 1.0

J.Teyra, A.Ernst, A.Singer, F.Sicheri, S.S.Sidhu. Comprehensive Analysis of All Evolutionary Paths Between Two Divergent Pdz Domain Specificities. Protein Sci. 2019.
ISSN: ESSN 1469-896X
PubMed: 31654425
DOI: 10.1002/PRO.3759