Atomistry » Chlorine » PDB 5myc-5n5u » 5mzr
Atomistry »
  Chlorine »
    PDB 5myc-5n5u »
      5mzr »

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

Protein crystallography data

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

Other elements in 5mzr:

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

Chlorine Binding Sites:

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 5mzr

Go back to Chlorine Binding Sites List in 5mzr
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 5mzr

Go back to Chlorine Binding Sites List in 5mzr
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 5mzr

Go back to Chlorine Binding Sites List in 5mzr
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 5mzr

Go back to Chlorine Binding Sites List in 5mzr
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 5mzr

Go back to Chlorine Binding Sites List in 5mzr
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 5mzr

Go back to Chlorine Binding Sites List in 5mzr
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 5mzr

Go back to Chlorine Binding Sites List in 5mzr
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

Reference:

Z.Fourati, M.Delarue. X-Ray Structure of the H235Q Mutant of Glic in Complex with Propofol To Be Published.
Page generated: Sat Dec 12 12:08:08 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy