Chlorine in PDB 5j0z: Crystal Structure of Glic in Complex with Dha

The structure of Crystal Structure of Glic in Complex with Dha, PDB code: 5j0z was solved by S.Basak, N.Schmandt, S.Chakrapani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.868, 133.320, 159.919, 90.00, 102.36, 90.00
R / Rfree (%)	23.2 / 26.1

The binding sites of Chlorine atom in the Crystal Structure of Glic in Complex with Dha (pdb code 5j0z). 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 Glic in Complex with Dha, PDB code: 5j0z:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Glic in Complex with Dha


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 Glic in Complex with Dha within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:83.1 occ:1.00 O E:HOH502 3.0 78.1 1.0 N A:PHE78 3.3 92.0 1.0 N A:ARG85 3.6 91.3 1.0 CG A:ARG85 3.7 0.5 1.0 CB A:PHE78 3.8 77.6 1.0 NH1 A:ARG85 3.9 0.2 1.0 O A:PHE78 4.0 70.4 1.0 CA A:PHE78 4.0 79.7 1.0 CA A:ARG77 4.1 94.3 1.0 CD2 A:PHE78 4.1 77.0 1.0 C A:ARG77 4.1 89.4 1.0 CB A:ARG77 4.2 99.3 1.0 CB A:ARG85 4.2 94.5 1.0 CA A:ALA84 4.2 0.2 1.0 C A:ALA84 4.3 97.3 1.0 CG2 A:VAL81 4.4 87.7 1.0 CG A:PHE78 4.5 74.6 1.0 C A:PHE78 4.5 72.1 1.0 CA A:ARG85 4.5 94.5 1.0 NH1 E:ARG105 4.6 0.8 1.0 CB A:ALA84 4.6 97.7 1.0 CD A:ARG85 4.7 0.6 1.0 CG A:ARG77 4.7 0.1 1.0 CZ A:ARG85 4.7 0.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Glic in Complex with Dha


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 Glic in Complex with Dha within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:92.9 occ:1.00 N D:PHE78 3.3 87.7 1.0 CG D:ARG85 3.4 0.5 1.0 NH1 D:ARG85 3.5 0.2 1.0 N D:ARG85 3.6 96.4 1.0 CB D:PHE78 3.9 72.6 1.0 CD2 D:PHE78 3.9 65.1 1.0 CA D:ARG77 4.0 92.8 1.0 CB D:ARG85 4.0 0.0 1.0 C D:ARG77 4.1 88.4 1.0 CA D:PHE78 4.1 77.1 1.0 CB D:ARG77 4.2 96.5 1.0 O D:PHE78 4.3 68.2 1.0 CD D:ARG85 4.4 0.5 1.0 CZ D:ARG85 4.4 0.4 1.0 C D:ALA84 4.4 96.2 1.0 CA D:ALA84 4.4 96.9 1.0 CG D:PHE78 4.4 66.6 1.0 CA D:ARG85 4.4 0.9 1.0 CG D:ARG77 4.7 0.3 1.0 NE D:ARG85 4.7 0.2 1.0 CG2 D:VAL81 4.7 93.1 1.0 C D:PHE78 4.7 70.3 1.0 CB D:ALA84 4.8 86.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Glic in Complex with Dha


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 Glic in Complex with Dha within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl401 b:0.1 occ:1.00 N E:PHE78 3.2 83.1 1.0 N E:ARG85 3.7 0.4 1.0 CB E:PHE78 3.8 77.6 1.0 CG E:ARG85 3.8 0.7 1.0 O E:PHE78 3.9 72.8 1.0 NH1 E:ARG85 4.0 0.1 1.0 CA E:PHE78 4.0 77.5 1.0 CA E:ARG77 4.0 86.0 1.0 C E:ARG77 4.1 84.7 1.0 CB E:ARG77 4.1 99.1 1.0 CD2 E:PHE78 4.2 74.1 1.0 CA E:ALA84 4.2 0.1 1.0 CB E:ARG85 4.4 0.6 1.0 C E:ALA84 4.4 0.4 1.0 CG2 E:VAL81 4.4 0.1 1.0 C E:PHE78 4.4 71.2 1.0 CG E:PHE78 4.5 75.7 1.0 CB E:ALA84 4.6 0.6 1.0 CG E:ARG77 4.6 0.5 1.0 CA E:ARG85 4.7 0.3 1.0 NH1 D:ARG105 4.8 99.0 1.0 CZ E:ARG85 4.8 0.1 1.0 CD E:ARG85 4.9 0.1 1.0

S.Basak, N.Schmandt, S.Chakrapani. Crystal Structure of Membrane Protein. To Be Published.