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

The structure of X-Ray Structure of the H235Q Mutant of Glic in Complex with Bromoform, PDB code: 5mzt 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 (°)	181.870, 132.764, 160.292, 90.00, 102.43, 90.00
R / Rfree (%)	19.3 / 21.1

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

Bromine	(Br)	30 atoms
Sodium	(Na)	6 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the H235Q Mutant of Glic in Complex with Bromoform (pdb code 5mzt). 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 Bromoform, PDB code: 5mzt:
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 Bromoform


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 Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:54.7 occ:1.00 O A:HOH552 2.9 58.1 1.0 NH1 A:ARG85 3.2 54.2 1.0 O A:HOH583 3.2 56.2 1.0 N A:PHE78 3.4 52.8 1.0 N A:ARG85 3.4 60.0 1.0 CD2 A:PHE78 3.8 68.9 1.0 CG A:ARG85 3.9 58.7 1.0 CA A:ALA84 3.9 52.6 1.0 CA A:ARG77 3.9 49.0 1.0 CB A:ARG85 4.0 56.5 1.0 CB A:PHE78 4.0 58.4 1.0 C A:ARG77 4.1 53.2 1.0 C A:ALA84 4.2 61.9 1.0 CD A:ARG85 4.2 56.6 1.0 CA A:PHE78 4.2 54.3 1.0 CG2 A:VAL81 4.3 47.9 1.0 CB A:ALA84 4.3 52.6 1.0 CA A:ARG85 4.3 59.7 1.0 CB A:ARG77 4.3 47.7 1.0 CZ A:ARG85 4.3 63.9 1.0 CG A:PHE78 4.4 64.0 1.0 O A:PHE78 4.5 55.8 1.0 O A:HOH543 4.6 81.0 1.0 CG A:ARG77 4.7 49.3 1.0 NE A:ARG85 4.7 63.9 1.0 CE2 A:PHE78 4.8 73.6 1.0 C A:PHE78 4.9 55.9 1.0 O A:ILE76 4.9 54.6 1.0

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


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 Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:73.3 occ:1.00 OD1 A:ASN139 3.1 61.2 1.0 N A:LEU180 3.1 50.3 1.0 CA A:ARG179 3.7 54.2 1.0 CB A:LEU180 3.9 46.5 1.0 C A:ARG179 3.9 55.4 1.0 CA A:LEU180 4.1 48.0 1.0 CG A:ASN139 4.2 70.4 1.0 CB A:SER134 4.2 57.8 1.0 CD A:ARG179 4.3 68.8 1.0 O A:ASP178 4.4 63.9 1.0 CB A:ARG179 4.4 52.2 1.0 CG A:ARG179 4.6 54.8 1.0 OG A:SER134 4.7 62.5 1.0 N A:ARG179 4.8 56.3 1.0 ND2 A:ASN139 4.9 63.7 1.0 C A:ASP178 5.0 63.7 1.0

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


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 Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:75.0 occ:1.00 N A:ALA175 3.6 53.1 1.0 CB A:ALA175 4.1 54.4 1.0 CA A:PHE174 4.2 53.5 1.0 C A:PHE174 4.3 56.5 1.0 CA A:ALA175 4.4 53.1 1.0 CB A:PHE174 4.5 53.4 1.0

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


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 Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:54.1 occ:1.00 NH1 B:ARG85 3.2 49.6 1.0 N B:PHE78 3.3 49.8 1.0 N B:ARG85 3.4 63.1 1.0 CD2 B:PHE78 3.6 66.0 1.0 CG B:ARG85 3.8 59.0 1.0 CB B:PHE78 3.9 56.1 1.0 CB B:ARG85 3.9 58.9 1.0 CA B:ARG77 4.0 47.5 1.0 CA B:ALA84 4.0 59.1 1.0 C B:ARG77 4.1 51.1 1.0 CD B:ARG85 4.1 47.4 1.0 CA B:PHE78 4.2 52.0 1.0 C B:ALA84 4.2 67.5 1.0 CG2 B:VAL81 4.2 52.2 1.0 CG B:PHE78 4.2 61.0 1.0 CA B:ARG85 4.3 62.0 1.0 CZ B:ARG85 4.3 59.4 1.0 CB B:ARG77 4.4 44.6 1.0 CB B:ALA84 4.4 59.3 1.0 O B:PHE78 4.5 55.3 1.0 CE2 B:PHE78 4.6 70.4 1.0 NE B:ARG85 4.6 54.4 1.0 CG B:ARG77 4.8 52.5 1.0 C B:PHE78 4.8 55.1 1.0 O B:ILE76 4.9 57.0 1.0

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


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 Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl405 b:58.6 occ:1.00 NH1 C:ARG85 3.3 48.4 1.0 N C:ARG85 3.3 63.7 1.0 N C:PHE78 3.4 55.4 1.0 CD2 C:PHE78 3.7 70.1 1.0 CG C:ARG85 3.9 56.3 1.0 CA C:ALA84 3.9 59.3 1.0 CB C:ARG85 3.9 60.7 1.0 CB C:PHE78 3.9 60.1 1.0 CA C:ARG77 4.0 53.7 1.0 C C:ALA84 4.1 67.0 1.0 CG2 C:VAL81 4.1 56.1 1.0 C C:ARG77 4.2 56.9 1.0 CD C:ARG85 4.2 61.6 1.0 CA C:PHE78 4.2 56.7 1.0 CA C:ARG85 4.2 62.8 1.0 CG C:PHE78 4.3 64.9 1.0 CB C:ARG77 4.3 52.5 1.0 CZ C:ARG85 4.4 69.3 1.0 CB C:ALA84 4.4 59.4 1.0 O C:PHE78 4.4 58.4 1.0 CE2 C:PHE78 4.7 74.3 1.0 CG C:ARG77 4.7 59.4 1.0 NE C:ARG85 4.7 67.0 1.0 C C:PHE78 4.8 58.5 1.0

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


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 Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl405 b:53.7 occ:1.00 O D:HOH546 2.9 46.2 1.0 NH1 D:ARG85 3.2 50.5 1.0 N D:PHE78 3.3 56.8 1.0 N D:ARG85 3.4 60.6 1.0 CD2 D:PHE78 3.7 68.7 1.0 CG D:ARG85 3.8 57.0 1.0 CB D:ARG85 3.9 55.5 1.0 CB D:PHE78 4.0 61.0 1.0 CA D:ARG77 4.0 50.8 1.0 CA D:ALA84 4.0 56.7 1.0 C D:ARG77 4.1 58.6 1.0 CD D:ARG85 4.1 57.6 1.0 C D:ALA84 4.2 63.6 1.0 CA D:PHE78 4.2 57.5 1.0 CA D:ARG85 4.3 59.5 1.0 CG2 D:VAL81 4.3 52.8 1.0 CG D:PHE78 4.3 65.3 1.0 CB D:ARG77 4.3 47.5 1.0 CZ D:ARG85 4.3 73.8 1.0 CB D:ALA84 4.4 57.0 1.0 O D:PHE78 4.5 57.0 1.0 NE D:ARG85 4.7 69.0 1.0 CE2 D:PHE78 4.7 73.0 1.0 CG D:ARG77 4.8 45.1 1.0 C D:PHE78 4.8 57.8 1.0 O D:ILE76 4.9 56.0 1.0

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


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 Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl405 b:59.4 occ:1.00 NH1 E:ARG85 3.2 60.6 1.0 N E:ARG85 3.3 63.4 1.0 N E:PHE78 3.4 56.5 1.0 CD2 E:PHE78 3.6 70.3 1.0 CG E:ARG85 3.8 59.3 1.0 CB E:ARG85 3.8 58.5 1.0 CB E:PHE78 3.9 61.0 1.0 CA E:ALA84 4.0 60.7 1.0 CA E:ARG77 4.1 53.0 1.0 CD E:ARG85 4.1 52.0 1.0 C E:ALA84 4.1 67.9 1.0 C E:ARG77 4.2 58.0 1.0 CA E:ARG85 4.2 61.7 1.0 CG2 E:VAL81 4.2 58.6 1.0 CA E:PHE78 4.2 57.5 1.0 CG E:PHE78 4.3 65.1 1.0 CZ E:ARG85 4.3 70.5 1.0 CB E:ARG77 4.4 49.2 1.0 CB E:ALA84 4.5 61.1 1.0 O E:PHE78 4.5 56.0 1.0 CE2 E:PHE78 4.6 74.4 1.0 NE E:ARG85 4.6 57.5 1.0 CG E:ARG77 4.8 60.2 1.0 C E:PHE78 4.9 56.6 1.0

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