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Chlorine in PDB 3lxt: Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens

Protein crystallography data

The structure of Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens, PDB code: 3lxt was solved by R.Agarwal, S.K.Burley, S.Swaminathan, New York Sgx Researchcenter For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.30 / 1.76
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.681, 57.887, 265.772, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 22.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens (pdb code 3lxt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens, PDB code: 3lxt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3lxt

Go back to Chlorine Binding Sites List in 3lxt
Chlorine binding site 1 out of 7 in the Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens


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 Glutathione S Transferase From Pseudomonas Fluorescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl526

b:21.7
occ:1.00
 N A:SER65 3.2 9.7 1.0
O A:HOH250 3.3 14.2 1.0
O A:HOH450 3.4 27.7 1.0
O A:HOH845 3.5 25.9 1.0
CB A:TYR13 3.7 9.7 1.0
CD A:PRO52 3.7 12.4 1.0
CA A:ASP64 3.8 10.8 1.0
CG A:TYR13 3.8 12.2 1.0
OG A:SER65 3.9 9.3 1.0
CB A:SER65 3.9 8.1 1.0
C A:ASP64 4.0 10.8 1.0
CD1 A:TYR13 4.0 11.8 1.0
O A:ALA51 4.0 13.8 1.0
CA A:SER65 4.2 8.5 1.0
N A:ASP64 4.4 10.4 1.0
NZ A:LYS50 4.5 20.3 1.0
CD2 A:TYR13 4.5 12.1 1.0
CG A:PRO52 4.5 13.4 1.0
CE A:LYS50 4.5 19.5 1.0
N A:PRO52 4.6 13.2 1.0
C A:ALA51 4.7 13.2 1.0
CE1 A:TYR13 4.8 15.5 1.0
CB A:ASP64 4.9 13.8 1.0

Chlorine binding site 2 out of 7 in 3lxt

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Chlorine binding site 2 out of 7 in the Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens


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 Glutathione S Transferase From Pseudomonas Fluorescens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl528

b:19.8
occ:1.00
 O A:HOH229 3.0 12.2 1.0
O A:HOH218 3.0 15.4 1.0
O A:HOH859 3.0 18.7 1.0
N A:LEU150 3.1 15.7 1.0
CG A:LEU145 3.5 16.1 1.0
CA A:PRO149 3.7 16.1 1.0
CD2 A:LEU145 3.7 17.6 1.0
C A:PRO149 3.9 16.5 1.0
CB A:PRO149 4.0 17.1 1.0
CB A:LEU150 4.0 16.4 1.0
CB A:LEU145 4.0 12.7 1.0
CA A:LEU150 4.1 15.0 1.0
CG A:LEU150 4.2 17.9 1.0
CB A:PHE189 4.4 9.3 1.0
O A:LEU145 4.4 12.9 1.0
O A:LEU150 4.4 14.8 1.0
CD1 A:PHE189 4.5 10.1 1.0
O A:ALA185 4.5 11.0 1.0
CA A:LEU145 4.7 12.5 1.0
CG A:PHE189 4.8 11.8 1.0
C A:LEU150 4.8 15.8 1.0
CD1 A:LEU145 4.8 17.5 1.0
CD1 A:LEU150 4.9 18.6 1.0
C A:LEU145 4.9 13.4 1.0
CG A:PRO149 4.9 16.7 1.0
N A:PRO149 5.0 16.9 1.0
CB A:ALA185 5.0 12.0 1.0

Chlorine binding site 3 out of 7 in 3lxt

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Chlorine binding site 3 out of 7 in the Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens


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 Glutathione S Transferase From Pseudomonas Fluorescens within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl525

b:19.5
occ:1.00
 O B:HOH273 3.0 12.7 1.0
O B:HOH243 3.0 22.4 1.0
O B:HOH259 3.0 11.6 1.0
N B:LEU150 3.1 14.4 1.0
CG B:LEU145 3.6 13.6 1.0
CA B:PRO149 3.6 14.8 1.0
CD2 B:LEU145 3.6 14.1 1.0
C B:PRO149 3.8 15.3 1.0
CB B:LEU145 3.9 11.0 1.0
CB B:PRO149 4.0 15.1 1.0
CB B:LEU150 4.1 16.4 1.0
CG B:LEU150 4.1 18.3 1.0
CA B:LEU150 4.1 15.1 1.0
CB B:PHE189 4.3 6.9 1.0
O B:LEU150 4.3 13.6 1.0
O B:LEU145 4.4 11.6 1.0
O B:ALA185 4.4 9.1 1.0
CD1 B:PHE189 4.5 9.9 1.0
CA B:LEU145 4.6 10.6 1.0
O B:HOH244 4.7 21.1 1.0
CG B:PHE189 4.7 9.5 1.0
CD1 B:LEU150 4.7 19.6 1.0
C B:LEU150 4.7 14.6 1.0
O B:HOH289 4.8 20.3 1.0
C B:LEU145 4.8 11.9 1.0
CG B:PRO149 4.9 15.0 1.0
N B:PRO149 4.9 15.2 1.0
CB B:ALA185 4.9 8.6 1.0
CD1 B:LEU145 5.0 16.3 1.0

Chlorine binding site 4 out of 7 in 3lxt

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Chlorine binding site 4 out of 7 in the Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl527

b:20.8
occ:1.00
 O B:HOH944 3.0 25.2 1.0
N B:SER65 3.2 7.2 1.0
O B:HOH268 3.2 10.4 1.0
O B:HOH214 3.7 22.8 1.0
CD B:PRO52 3.7 7.8 1.0
CB B:TYR13 3.7 8.8 1.0
CA B:ASP64 3.7 11.3 1.0
CG B:TYR13 3.9 10.0 1.0
CB B:SER65 3.9 7.8 1.0
C B:ASP64 4.0 10.3 1.0
OG B:SER65 4.0 10.0 1.0
O B:ALA51 4.0 11.7 1.0
O B:HOH652 4.1 30.3 1.0
CA B:SER65 4.1 8.8 1.0
CD1 B:TYR13 4.2 12.2 1.0
N B:ASP64 4.4 9.8 1.0
CD2 B:TYR13 4.4 13.2 1.0
NZ B:LYS50 4.4 21.8 1.0
CG B:PRO52 4.5 8.5 1.0
N B:PRO52 4.5 9.9 1.0
CE B:LYS50 4.5 17.9 1.0
OD1 B:ASP64 4.6 23.9 1.0
C B:ALA51 4.6 10.6 1.0
CB B:ASP64 4.9 14.9 1.0
CG B:ASP64 4.9 19.5 1.0

Chlorine binding site 5 out of 7 in 3lxt

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Chlorine binding site 5 out of 7 in the Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl523

b:21.7
occ:1.00
 O C:HOH277 3.1 12.9 1.0
N C:SER65 3.1 8.5 1.0
O C:HOH864 3.2 24.9 1.0
O C:HOH636 3.3 29.9 1.0
O C:HOH520 3.6 30.8 1.0
CA C:ASP64 3.6 11.9 1.0
CB C:TYR13 3.7 9.8 1.0
CD C:PRO52 3.7 7.6 1.0
CG C:TYR13 3.7 10.5 1.0
C C:ASP64 3.9 10.7 1.0
CD1 C:TYR13 3.9 12.4 1.0
CB C:SER65 3.9 6.7 1.0
OG C:SER65 4.0 9.4 1.0
CA C:SER65 4.1 8.8 1.0
O C:ALA51 4.1 9.4 1.0
N C:ASP64 4.3 10.9 1.0
CG C:PRO52 4.5 6.2 1.0
CD2 C:TYR13 4.5 13.5 1.0
N C:PRO52 4.5 8.2 1.0
CE1 C:TYR13 4.7 14.1 1.0
C C:ALA51 4.7 8.6 1.0
CB C:ASP64 4.8 13.1 1.0
NZ C:LYS50 4.9 23.4 1.0
CG C:ASP64 4.9 18.5 1.0
CA C:TYR13 5.0 8.6 1.0

Chlorine binding site 6 out of 7 in 3lxt

Go back to Chlorine Binding Sites List in 3lxt
Chlorine binding site 6 out of 7 in the Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl524

b:21.0
occ:1.00
 O C:HOH227 2.9 16.6 1.0
O C:HOH231 2.9 13.3 1.0
N C:LEU150 3.2 15.8 1.0
O C:HOH836 3.5 23.6 1.0
CG C:LEU145 3.5 15.2 1.0
CD2 C:LEU145 3.7 15.0 1.0
CA C:PRO149 3.7 17.0 1.0
CB C:LEU145 3.9 14.1 1.0
C C:PRO149 3.9 17.1 1.0
CB C:LEU150 4.0 17.6 1.0
CB C:PRO149 4.1 15.8 1.0
CA C:LEU150 4.1 16.6 1.0
CG C:LEU150 4.3 18.6 1.0
CB C:PHE189 4.3 8.7 1.0
O C:LEU150 4.4 17.1 1.0
O C:ALA185 4.5 9.1 1.0
CD1 C:PHE189 4.5 12.4 1.0
O C:LEU145 4.5 15.4 1.0
CA C:LEU145 4.7 13.5 1.0
CG C:PHE189 4.7 11.3 1.0
C C:LEU150 4.8 16.7 1.0
O C:HOH457 4.8 29.9 1.0
CD1 C:LEU145 4.8 14.7 1.0
CB C:ALA185 4.9 9.7 1.0
C C:LEU145 4.9 14.5 1.0
O C:HOH239 4.9 17.9 1.0
NH2 C:ARG152 5.0 13.1 1.0
CG C:PRO149 5.0 15.9 1.0
CD1 C:LEU150 5.0 18.2 1.0
N C:PRO149 5.0 17.6 1.0

Chlorine binding site 7 out of 7 in 3lxt

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Chlorine binding site 7 out of 7 in the Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl522

b:21.3
occ:1.00
 O D:HOH1012 2.7 38.0 1.0
N D:SER65 3.1 9.3 1.0
O D:HOH267 3.3 13.4 1.0
O D:HOH409 3.3 27.9 1.0
O D:HOH247 3.6 31.1 1.0
CA D:ASP64 3.7 10.8 1.0
CB D:TYR13 3.7 11.4 1.0
CG D:TYR13 3.8 12.8 1.0
OG D:SER65 3.8 9.2 1.0
CB D:SER65 3.8 7.2 1.0
CD1 D:TYR13 3.9 15.0 1.0
C D:ASP64 3.9 11.7 1.0
CD D:PRO52 4.0 6.8 1.0
O A:HOH1039 4.0 35.8 1.0
CA D:SER65 4.1 9.7 1.0
N D:ASP64 4.4 10.2 1.0
O D:ALA51 4.5 10.5 1.0
CD2 D:TYR13 4.5 13.2 1.0
CE1 D:TYR13 4.6 15.5 1.0
NZ D:LYS50 4.6 19.3 1.0
CG D:PRO52 4.7 6.5 1.0
O D:HOH297 4.8 22.5 1.0
N D:PRO52 4.8 7.2 1.0
CB D:ASP64 4.8 13.8 1.0
CG D:ASP64 4.9 19.0 1.0
OD1 D:ASP64 5.0 19.1 1.0
C D:ALA51 5.0 8.2 1.0

Reference:

R.Agarwal, S.K.Burley, S.Swaminathan. Crystal Structure of Glutathione S Transferase From Pseudomonas Fluorescens To Be Published.
Page generated: Sat Dec 12 09:53:57 2020

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