Chlorine in PDB 5mzr: X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol

The structure of X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol, PDB code: 5mzr was solved by Z.Fourati, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	182.842, 132.989, 161.162, 90.00, 102.83, 90.00
R / Rfree (%)	19.1 / 21

The structure of X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol (pdb code 5mzr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol, PDB code: 5mzr:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:68.1 occ:1.00 O A:HOH535 3.2 64.5 1.0 NH1 A:ARG85 3.3 64.5 1.0 N A:PHE78 3.3 61.7 1.0 N A:ARG85 3.6 74.5 1.0 CA A:ARG77 3.8 56.4 1.0 CD2 A:PHE78 3.8 77.7 1.0 CA A:ALA84 3.9 74.5 1.0 C A:ARG77 4.0 61.4 1.0 CB A:ARG77 4.0 54.0 1.0 CB A:PHE78 4.1 66.4 1.0 CB A:ALA84 4.1 75.3 1.0 CG A:ARG85 4.1 72.2 1.0 CA A:PHE78 4.2 63.2 1.0 CG2 A:VAL81 4.3 64.3 1.0 C A:ALA84 4.3 79.2 1.0 CB A:ARG85 4.3 68.8 1.0 CD A:ARG85 4.4 76.2 1.0 O A:PHE78 4.4 67.7 1.0 CG A:PHE78 4.4 71.8 1.0 CZ A:ARG85 4.5 87.2 1.0 CG A:ARG77 4.6 66.6 1.0 CA A:ARG85 4.6 73.5 1.0 CE2 A:PHE78 4.8 82.7 1.0 C A:PHE78 4.8 67.5 1.0 NE A:ARG85 4.9 84.3 1.0 O A:ILE76 5.0 64.1 1.0

Chlorine binding site 2 out of 7 in the X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:85.0 occ:1.00 OD1 A:ASN139 3.2 72.7 1.0 N A:LEU180 3.2 62.4 1.0 CA A:ARG179 3.8 67.7 1.0 CB A:LEU180 3.9 59.5 1.0 C A:ARG179 4.0 68.2 1.0 CA A:LEU180 4.1 60.3 1.0 CG A:ASN139 4.2 92.6 1.0 CD A:ARG179 4.3 89.8 1.0 CB A:SER134 4.4 72.5 1.0 O A:ASP178 4.4 79.5 1.0 CB A:ARG179 4.4 63.2 1.0 CG A:ARG179 4.6 67.0 1.0 N A:ARG179 4.8 70.7 1.0 ND2 A:ASN139 4.8 89.3 1.0 C A:ASP178 5.0 79.0 1.0 OG A:SER134 5.0 77.5 1.0

Chlorine binding site 3 out of 7 in the X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:91.8 occ:1.00 N A:ALA175 3.8 64.3 1.0 CA A:PHE174 4.2 66.1 1.0 CB A:ALA175 4.4 67.2 1.0 C A:PHE174 4.5 67.0 1.0 CB A:PHE174 4.5 67.0 1.0 CA A:ALA175 4.7 65.3 1.0

Chlorine binding site 4 out of 7 in the X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:76.3 occ:1.00 NH1 B:ARG85 3.3 70.4 1.0 N B:PHE78 3.3 61.1 1.0 N B:ARG85 3.5 81.5 1.0 CD2 B:PHE78 3.6 75.5 1.0 CB B:PHE78 3.9 66.3 1.0 CA B:ALA84 3.9 84.7 1.0 CG B:ARG85 3.9 76.5 1.0 CA B:ARG77 4.1 56.1 1.0 CB B:ARG85 4.1 75.4 1.0 CG2 B:VAL81 4.1 63.9 1.0 CA B:PHE78 4.1 62.8 1.0 C B:ARG77 4.1 62.1 1.0 CD B:ARG85 4.2 73.2 1.0 CG B:PHE78 4.2 70.8 1.0 C B:ALA84 4.2 88.3 1.0 CB B:ALA84 4.3 86.0 1.0 CZ B:ARG85 4.4 80.8 1.0 O B:PHE78 4.4 68.3 1.0 CB B:ARG77 4.4 52.9 1.0 CA B:ARG85 4.4 79.6 1.0 CE2 B:PHE78 4.6 80.0 1.0 NE B:ARG85 4.7 76.2 1.0 C B:PHE78 4.8 67.0 1.0 CG B:ARG77 4.9 65.3 1.0 CG1 B:VAL81 4.9 62.9 1.0

Chlorine binding site 5 out of 7 in the X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl405 b:70.3 occ:1.00 NH1 C:ARG85 3.2 65.7 1.0 N C:PHE78 3.3 66.9 1.0 N C:ARG85 3.6 81.0 1.0 CD2 C:PHE78 3.7 79.0 1.0 CG C:ARG85 3.8 71.8 1.0 CB C:PHE78 4.0 70.1 1.0 CA C:ALA84 4.0 80.8 1.0 CA C:ARG77 4.0 67.2 1.0 C C:ARG77 4.1 70.5 1.0 CB C:ARG85 4.1 76.0 1.0 CA C:PHE78 4.2 67.4 1.0 CD C:ARG85 4.2 75.3 1.0 CG2 C:VAL81 4.2 64.4 1.0 CG C:PHE78 4.2 74.4 1.0 CB C:ALA84 4.3 81.7 1.0 CB C:ARG77 4.3 66.9 1.0 C C:ALA84 4.3 85.3 1.0 CZ C:ARG85 4.4 82.4 1.0 O C:PHE78 4.4 68.7 1.0 CA C:ARG85 4.5 79.8 1.0 CE2 C:PHE78 4.6 83.7 1.0 NE C:ARG85 4.7 71.8 1.0 CG C:ARG77 4.8 77.8 1.0 C C:PHE78 4.8 68.7 1.0

Chlorine binding site 6 out of 7 in the X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl405 b:70.7 occ:1.00 NH1 D:ARG85 3.2 61.5 1.0 N D:PHE78 3.3 62.4 1.0 N D:ARG85 3.5 74.6 1.0 CD2 D:PHE78 3.7 74.9 1.0 CA D:ARG77 3.9 59.8 1.0 CG D:ARG85 4.0 70.7 1.0 CB D:PHE78 4.0 67.0 1.0 CA D:ALA84 4.0 75.1 1.0 C D:ARG77 4.1 65.2 1.0 CB D:ARG85 4.1 68.0 1.0 CA D:PHE78 4.2 63.7 1.0 CD D:ARG85 4.2 75.0 1.0 CG2 D:VAL81 4.2 59.6 1.0 CB D:ARG77 4.2 55.6 1.0 CG D:PHE78 4.3 71.2 1.0 C D:ALA84 4.3 80.3 1.0 CB D:ALA84 4.3 75.7 1.0 CZ D:ARG85 4.4 84.8 1.0 O D:PHE78 4.4 66.1 1.0 CA D:ARG85 4.4 73.5 1.0 CE2 D:PHE78 4.6 78.9 1.0 CG D:ARG77 4.7 59.4 1.0 NE D:ARG85 4.8 78.3 1.0 C D:PHE78 4.8 66.3 1.0 O D:ILE76 5.0 67.3 1.0

Chlorine binding site 7 out of 7 in the X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl405 b:73.9 occ:1.00 NH1 E:ARG85 3.3 69.2 1.0 N E:PHE78 3.3 68.5 1.0 N E:ARG85 3.4 76.4 1.0 CD2 E:PHE78 3.7 82.4 1.0 CA E:ALA84 3.9 79.5 1.0 CG E:ARG85 3.9 70.6 1.0 CB E:PHE78 4.0 73.0 1.0 CB E:ARG85 4.1 68.7 1.0 CA E:ARG77 4.1 65.4 1.0 CG2 E:VAL81 4.1 67.5 1.0 C E:ALA84 4.2 83.1 1.0 C E:ARG77 4.2 70.3 1.0 CA E:PHE78 4.2 69.8 1.0 CD E:ARG85 4.2 67.9 1.0 CB E:ALA84 4.3 80.5 1.0 CG E:PHE78 4.3 77.5 1.0 CA E:ARG85 4.4 74.0 1.0 CB E:ARG77 4.4 64.4 1.0 O E:PHE78 4.4 69.8 1.0 CZ E:ARG85 4.4 79.0 1.0 CE2 E:PHE78 4.6 86.6 1.0 NE E:ARG85 4.8 70.7 1.0 CG E:ARG77 4.8 78.7 1.0 C E:PHE78 4.8 70.9 1.0 CG1 E:VAL81 5.0 65.4 1.0

Z.Fourati, M.Delarue. X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol To Be Published.