Chlorine in PDB 5mvm: X-Ray Structure of the F14'A -N15'A Double Mutant of Glic in Complex with Propofol

The structure of X-Ray Structure of the F14'A -N15'A Double Mutant of Glic in Complex with Propofol, PDB code: 5mvm 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 / 3.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.760, 132.510, 160.520, 90.00, 102.72, 90.00
R / Rfree (%)	19.5 / 20.8

The structure of X-Ray Structure of the F14'A -N15'A Double Mutant of Glic in Complex with Propofol also contains other interesting chemical elements:

Sodium

(Na)

7 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the F14'A -N15'A Double Mutant of Glic in Complex with Propofol (pdb code 5mvm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the X-Ray Structure of the F14'A -N15'A Double Mutant of Glic in Complex with Propofol, PDB code: 5mvm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the X-Ray Structure of the F14'A -N15'A Double 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 F14'A -N15'A Double Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:73.3 occ:1.00 O A:HOH627 2.9 78.9 1.0 N A:PHE78 3.3 57.7 1.0 NH1 A:ARG85 3.3 49.9 1.0 N A:ARG85 3.5 74.7 1.0 CD2 A:PHE78 3.6 61.6 1.0 CG A:ARG85 3.6 63.9 1.0 CB A:PHE78 3.8 57.9 1.0 CA A:ALA84 3.9 77.5 1.0 CA A:ARG77 4.0 54.9 1.0 CG2 A:VAL81 4.1 61.6 1.0 CB A:ARG85 4.1 69.2 1.0 C A:ARG77 4.1 62.4 1.0 CA A:PHE78 4.1 56.2 1.0 CG A:PHE78 4.2 59.5 1.0 C A:ALA84 4.2 80.3 1.0 CB A:ALA84 4.2 78.7 1.0 O A:PHE78 4.3 59.3 1.0 CD A:ARG85 4.4 54.6 1.0 CA A:ARG85 4.4 73.6 1.0 CZ A:ARG85 4.5 68.6 1.0 CB A:ARG77 4.5 55.5 1.0 CE2 A:PHE78 4.6 64.0 1.0 C A:PHE78 4.8 58.0 1.0 CG A:ARG77 4.8 65.7 1.0 NE A:ARG85 4.9 59.8 1.0

Chlorine binding site 2 out of 5 in the X-Ray Structure of the F14'A -N15'A Double 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 F14'A -N15'A Double Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:0.2 occ:1.00 O B:HOH627 2.9 35.7 1.0 NH1 B:ARG85 3.6 61.4 1.0 CB B:ALA84 3.7 86.2 1.0 CG B:ARG85 4.1 78.6 1.0 N B:ARG85 4.2 81.8 1.0 CA B:ALA84 4.2 84.7 1.0 CZ B:ARG85 4.3 76.4 1.0 CG B:ARG77 4.4 57.8 1.0 O B:ILE76 4.4 62.0 1.0 C B:ALA84 4.6 88.0 1.0 CA B:ARG77 4.6 52.5 1.0 OD2 A:ASP88 4.7 0.7 1.0 CB B:ARG77 4.8 49.1 1.0 O B:ARG85 4.9 85.5 1.0 NE B:ARG85 4.9 76.4 1.0 NH2 B:ARG85 5.0 48.0 1.0

Chlorine binding site 3 out of 5 in the X-Ray Structure of the F14'A -N15'A Double 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 F14'A -N15'A Double Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:82.5 occ:1.00 N C:PHE78 3.2 58.6 1.0 NH1 C:ARG85 3.4 78.3 1.0 N C:ARG85 3.6 79.9 1.0 CD2 C:PHE78 3.7 66.2 1.0 CG C:ARG85 3.7 77.8 1.0 CB C:PHE78 3.9 60.6 1.0 CA C:ARG77 3.9 56.0 1.0 CA C:ALA84 4.0 82.3 1.0 C C:ARG77 4.0 61.5 1.0 CA C:PHE78 4.1 58.7 1.0 CG2 C:VAL81 4.1 60.5 1.0 O C:PHE78 4.2 68.4 1.0 CG C:PHE78 4.3 63.1 1.0 CB C:ARG77 4.3 54.1 1.0 CB C:ARG85 4.3 75.3 1.0 CB C:ALA84 4.3 83.9 1.0 O C:HOH532 4.3 71.0 1.0 C C:ALA84 4.3 83.9 1.0 CD C:ARG85 4.5 73.2 1.0 CZ C:ARG85 4.5 89.6 1.0 CA C:ARG85 4.6 79.1 1.0 C C:PHE78 4.7 65.2 1.0 CG C:ARG77 4.7 64.7 1.0 CE2 C:PHE78 4.8 68.3 1.0 O C:ILE76 5.0 63.2 1.0 NE C:ARG85 5.0 74.9 1.0

Chlorine binding site 4 out of 5 in the X-Ray Structure of the F14'A -N15'A Double 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 F14'A -N15'A Double Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl403 b:68.3 occ:1.00 N D:PHE78 3.1 52.2 1.0 NH1 D:ARG85 3.8 71.0 1.0 CA D:ARG77 3.8 51.2 1.0 N D:ARG85 3.8 73.3 1.0 CB D:PHE78 3.8 55.0 1.0 CG2 D:VAL81 3.9 60.2 1.0 O D:PHE78 3.9 57.4 1.0 CA D:ALA84 3.9 72.3 1.0 C D:ARG77 3.9 57.3 1.0 CD2 D:PHE78 3.9 60.2 1.0 CA D:PHE78 4.0 52.3 1.0 CB D:ARG77 4.1 49.8 1.0 CG D:ARG85 4.2 69.9 1.0 CB D:ALA84 4.2 73.4 1.0 CG D:ARG77 4.3 51.9 1.0 CG D:PHE78 4.4 58.0 1.0 C D:ALA84 4.4 77.2 1.0 C D:PHE78 4.4 56.4 1.0 CB D:ARG85 4.6 69.2 1.0 CA D:ARG85 4.8 73.0 1.0 CZ D:ARG85 5.0 83.0 1.0 CD D:ARG85 5.0 63.7 1.0 N D:ALA84 5.0 73.0 1.0

Chlorine binding site 5 out of 5 in the X-Ray Structure of the F14'A -N15'A Double 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 F14'A -N15'A Double Mutant of Glic in Complex with Propofol within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl404 b:72.2 occ:1.00 N E:PHE78 3.1 58.6 1.0 CB E:PHE78 3.7 61.2 1.0 N E:ARG85 3.7 72.7 1.0 NH1 E:ARG85 3.8 75.3 1.0 CD2 E:PHE78 3.8 66.6 1.0 CG2 E:VAL81 3.8 69.5 1.0 O E:PHE78 3.9 65.5 1.0 CA E:PHE78 3.9 59.0 1.0 CA E:ALA84 3.9 79.1 1.0 CA E:ARG77 3.9 55.7 1.0 C E:ARG77 3.9 61.1 1.0 CG E:ARG85 4.1 64.5 1.0 CB E:ARG77 4.2 56.5 1.0 CB E:ALA84 4.2 80.5 1.0 CG E:PHE78 4.3 64.3 1.0 C E:ALA84 4.4 80.6 1.0 C E:PHE78 4.4 64.6 1.0 CB E:ARG85 4.5 62.8 1.0 CA E:ARG85 4.8 70.1 1.0 CD E:ARG85 4.9 69.5 1.0 CE2 E:PHE78 4.9 68.4 1.0 CZ E:ARG85 4.9 87.1 1.0

Z.Fourati, M.Delarue. X-Ray Structure of the F14'A -N15'A Double Mutant of Glic in Complex with Propofol To Be Published.