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Chlorine in PDB 8eju: The Crystal Structure of Pseudomonas Putida Pcar

Protein crystallography data

The structure of The Crystal Structure of Pseudomonas Putida Pcar, PDB code: 8eju was solved by C.Pham, T.Skarina, R.Di Leo, P.J.Stogios, R.Mahadevan, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.74 / 1.74
Space group P 62
Cell size a, b, c (Å), α, β, γ (°) 148.903, 148.903, 55.711, 90, 90, 120
R / Rfree (%) 17.6 / 21.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Pseudomonas Putida Pcar (pdb code 8eju). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the The Crystal Structure of Pseudomonas Putida Pcar, PDB code: 8eju:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 8eju

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Chlorine binding site 1 out of 10 in the The Crystal Structure of Pseudomonas Putida Pcar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Pseudomonas Putida Pcar within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:34.1
occ:1.00
 O B:HOH433 2.5 36.5 1.0
O A:HOH479 2.8 30.0 1.0
O B:HOH525 2.8 49.1 1.0
N A:LYS106 3.2 22.9 1.0
CD A:PRO105 3.6 23.4 1.0
O B:HOH605 3.8 40.3 1.0
N A:PRO105 3.8 23.1 1.0
CB A:LYS106 3.9 22.1 1.0
CB A:PRO105 3.9 24.6 1.0
CA A:LYS106 4.0 22.8 1.0
CG A:PRO105 4.0 24.6 1.0
C A:PRO105 4.0 22.0 1.0
CB A:LEU104 4.1 18.8 1.0
CG B:GLU145 4.1 38.0 1.0
CA A:PRO105 4.2 25.4 1.0
CD2 B:LEU150 4.3 25.4 1.0
O A:GLY92 4.3 22.6 1.0
CB B:GLU145 4.4 27.5 1.0
C A:LEU104 4.4 20.2 1.0
O B:LEU144 4.4 26.2 1.0
OG1 B:THR143 4.6 28.6 1.0
CD1 A:LEU104 4.8 26.0 1.0
CA A:LEU104 4.8 22.6 1.0
CG A:LEU104 4.9 21.9 1.0
CA B:GLU145 4.9 27.7 1.0
CG A:LYS106 5.0 27.0 1.0

Chlorine binding site 2 out of 10 in 8eju

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Chlorine binding site 2 out of 10 in the The Crystal Structure of Pseudomonas Putida Pcar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Pseudomonas Putida Pcar within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:62.9
occ:1.00
 O A:HOH573 2.5 58.2 1.0
O A:HOH515 3.4 52.2 1.0
CB A:GLN236 3.8 51.1 1.0
CG A:GLN236 3.9 66.9 1.0
CB A:THR205 3.9 42.7 1.0
CA A:GLN236 4.0 50.1 1.0
OE1 A:GLN232 4.2 55.7 1.0
CB A:GLN232 4.2 42.5 1.0
OG A:SER206 4.2 58.9 1.0
O A:GLN232 4.2 40.8 1.0
CD A:GLN236 4.2 93.5 1.0
OG1 A:THR205 4.3 41.9 1.0
NE2 A:GLN236 4.4 99.1 1.0
CG2 A:THR205 4.5 42.3 1.0
CD A:GLN232 4.6 52.4 1.0
N A:GLN236 4.6 45.8 1.0
OE1 A:GLN236 4.8 102.1 1.0
CD A:ARG207 4.8 39.0 1.0
N A:SER206 4.8 43.1 1.0
CG A:ARG207 4.9 38.4 1.0
O A:HOH590 5.0 67.8 1.0
CG A:GLN232 5.0 39.7 1.0

Chlorine binding site 3 out of 10 in 8eju

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Chlorine binding site 3 out of 10 in the The Crystal Structure of Pseudomonas Putida Pcar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Pseudomonas Putida Pcar within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:47.3
occ:1.00
 O A:HOH491 2.8 41.7 1.0
OG A:SER240 2.8 38.2 1.0
N A:SER178 3.3 25.8 1.0
O A:HOH505 3.4 37.9 1.0
CA A:THR177 3.5 28.3 1.0
CB A:THR177 3.6 30.9 1.0
OG A:SER178 3.8 27.9 1.0
CB A:SER240 3.9 38.3 1.0
C A:THR177 3.9 27.3 1.0
CG2 A:THR177 3.9 30.8 1.0
CB A:SER178 4.4 28.5 1.0
CA A:SER178 4.4 25.1 1.0
O A:HOH434 4.5 40.3 1.0
O A:CYS176 4.7 34.6 1.0
ND2 A:ASN257 4.7 32.0 1.0
CB A:VAL230 4.7 27.9 1.0
N A:THR177 4.8 30.4 1.0
OG1 A:THR177 4.9 28.8 1.0
CD2 A:LEU238 5.0 48.1 1.0
CG1 A:VAL230 5.0 31.4 1.0

Chlorine binding site 4 out of 10 in 8eju

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Chlorine binding site 4 out of 10 in the The Crystal Structure of Pseudomonas Putida Pcar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Pseudomonas Putida Pcar within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:55.0
occ:1.00
 NE2 A:GLN36 3.1 62.9 1.0
NE A:ARG50 3.2 39.4 1.0
NH2 A:ARG50 3.6 54.4 1.0
CB A:ALA32 3.7 41.8 1.0
CZ A:ARG50 3.9 49.5 1.0
CA A:ALA32 4.0 44.4 1.0
CG1 A:ILE76 4.1 31.5 1.0
CG A:ARG50 4.1 28.0 1.0
CD A:GLN36 4.1 74.2 1.0
CD A:ARG50 4.2 33.7 1.0
O A:ALA32 4.3 50.4 1.0
CG2 A:ILE35 4.3 42.9 1.0
CG A:GLN36 4.4 62.8 1.0
CD A:PRO77 4.4 38.8 1.0
CG2 A:ILE76 4.4 32.3 1.0
CB A:ILE35 4.5 40.4 1.0
CA A:ILE76 4.6 31.2 1.0
CB A:ILE76 4.6 29.6 1.0
C A:ALA32 4.6 42.8 1.0
CD1 A:ILE35 4.7 32.7 1.0

Chlorine binding site 5 out of 10 in 8eju

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Chlorine binding site 5 out of 10 in the The Crystal Structure of Pseudomonas Putida Pcar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of Pseudomonas Putida Pcar within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:50.8
occ:1.00
 O A:HOH532 3.0 54.1 1.0
OG B:SER47 3.8 38.0 1.0
N A:THR46 3.8 37.1 1.0
N A:SER47 3.9 29.6 1.0
O B:HOH496 4.0 42.3 1.0
OG A:SER47 4.0 48.9 1.0
CB B:SER47 4.2 30.7 1.0
CB A:SER47 4.2 38.6 1.0
C A:MET45 4.3 33.4 1.0
CA A:MET45 4.3 32.8 1.0
CA A:THR46 4.6 35.2 1.0
CB A:THR46 4.6 40.4 1.0
CA A:SER47 4.7 30.6 1.0
C A:THR46 4.7 31.1 1.0
SD A:MET45 4.8 54.8 1.0
CE A:MET45 4.8 37.5 1.0
CB A:MET45 4.8 38.1 1.0

Chlorine binding site 6 out of 10 in 8eju

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Chlorine binding site 6 out of 10 in the The Crystal Structure of Pseudomonas Putida Pcar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of Pseudomonas Putida Pcar within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:49.2
occ:1.00
 OG A:SER102 3.1 38.9 1.0
O A:THR100 3.7 27.0 1.0
N A:SER102 3.8 21.9 1.0
CB A:SER102 3.8 25.6 1.0
O A:HOH570 3.8 59.8 1.0
C A:TYR101 4.0 24.4 1.0
O A:THR95 4.0 23.4 1.0
C A:THR100 4.1 25.1 1.0
CA A:TYR101 4.1 25.7 1.0
CA A:THR96 4.1 27.1 1.0
CG2 A:THR95 4.1 28.4 1.0
OG1 A:THR100 4.2 31.1 1.0
ND1 A:HIS64 4.2 45.2 1.0
N A:TYR101 4.2 25.3 1.0
N A:ASP97 4.2 25.4 1.0
C A:THR96 4.3 27.8 1.0
C A:THR95 4.3 25.6 1.0
CA A:SER102 4.4 22.9 1.0
N A:THR96 4.4 27.4 1.0
CB A:HIS64 4.5 39.2 1.0
O A:TYR101 4.6 23.5 1.0
CG A:HIS64 4.8 47.0 1.0
CB A:THR100 4.9 29.8 1.0
CG A:ASP97 5.0 32.1 1.0

Chlorine binding site 7 out of 10 in 8eju

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Chlorine binding site 7 out of 10 in the The Crystal Structure of Pseudomonas Putida Pcar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of Pseudomonas Putida Pcar within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:47.8
occ:1.00
 N B:VAL229 3.3 28.9 1.0
OE1 B:GLN225 3.4 39.9 1.0
O B:HOH440 3.5 36.7 1.0
O B:VAL229 3.6 31.1 1.0
O B:HOH411 3.7 47.0 1.0
CA B:CYS228 3.8 27.0 1.0
C B:CYS228 4.0 29.2 1.0
SG B:CYS228 4.1 30.3 1.0
CG2 B:VAL222 4.2 29.8 1.0
CA B:VAL229 4.3 29.8 1.0
CZ3 B:TRP227 4.3 39.1 1.0
CD B:GLN225 4.3 45.5 1.0
C B:VAL229 4.4 33.3 1.0
O B:TRP227 4.4 31.5 1.0
NE2 B:GLN225 4.4 43.0 1.0
CB B:CYS228 4.5 25.6 1.0
CB B:VAL229 4.6 31.0 1.0
CE3 B:TRP227 4.7 39.9 1.0
N B:CYS228 4.9 28.5 1.0

Chlorine binding site 8 out of 10 in 8eju

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Chlorine binding site 8 out of 10 in the The Crystal Structure of Pseudomonas Putida Pcar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Crystal Structure of Pseudomonas Putida Pcar within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:53.4
occ:1.00
 OE1 B:GLN251 3.1 86.4 1.0
N B:VAL252 3.5 36.0 1.0
CD B:GLN251 3.7 85.6 1.0
O B:HOH510 3.7 59.1 1.0
O B:ALA186 3.8 41.1 1.0
CA B:GLN251 3.9 50.3 1.0
NE2 B:GLN251 4.2 78.6 1.0
CB B:ALA186 4.2 33.8 1.0
CB B:GLN251 4.2 55.2 1.0
C B:GLN251 4.2 36.4 1.0
CB B:VAL252 4.3 32.4 1.0
CG2 B:VAL252 4.3 32.5 1.0
CA B:VAL252 4.4 34.7 1.0
CG B:GLN251 4.6 66.1 1.0
C B:ALA186 4.7 40.6 1.0
CA B:ALA186 4.7 34.3 1.0
O B:GLY250 4.7 56.0 1.0
O B:VAL252 4.9 40.3 1.0

Chlorine binding site 9 out of 10 in 8eju

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Chlorine binding site 9 out of 10 in the The Crystal Structure of Pseudomonas Putida Pcar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Crystal Structure of Pseudomonas Putida Pcar within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:55.8
occ:1.00
 O B:HOH461 3.3 36.0 1.0
N B:SER206 3.7 33.4 1.0
CB B:THR205 3.9 35.1 1.0
CA B:THR205 3.9 31.7 1.0
OE1 B:GLN236 4.0 68.9 1.0
CG B:GLN236 4.1 71.7 1.0
C B:THR205 4.3 31.3 1.0
CD B:GLN236 4.5 75.3 1.0
O B:HOH518 4.5 41.2 1.0
CG2 B:THR205 4.7 35.6 1.0
CB B:SER206 4.7 40.7 1.0
OG B:SER206 4.8 39.7 1.0
CA B:SER206 4.8 34.0 1.0

Chlorine binding site 10 out of 10 in 8eju

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Chlorine binding site 10 out of 10 in the The Crystal Structure of Pseudomonas Putida Pcar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Crystal Structure of Pseudomonas Putida Pcar within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl307

b:49.8
occ:1.00
 OG B:SER102 3.4 35.7 0.6
OG B:SER102 3.4 33.8 0.5
CD2 B:HIS64 3.6 58.5 1.0
N B:SER102 3.7 28.6 0.6
O B:THR95 3.7 29.2 1.0
N B:SER102 3.7 28.6 0.5
CB B:SER102 3.8 33.8 0.6
CA B:THR96 3.8 32.4 1.0
O B:THR100 3.9 32.6 1.0
C B:TYR101 3.9 30.4 1.0
CB B:SER102 3.9 34.6 0.5
CA B:TYR101 4.0 26.4 1.0
CG2 B:THR95 4.0 34.3 1.0
CG B:HIS64 4.0 52.9 1.0
C B:THR95 4.1 29.7 1.0
NE2 B:HIS64 4.1 60.6 1.0
N B:THR96 4.2 28.7 1.0
N B:ASP97 4.2 35.8 1.0
C B:THR96 4.2 40.7 1.0
N B:TYR101 4.2 27.2 1.0
C B:THR100 4.2 28.9 1.0
CA B:SER102 4.4 27.2 0.6
OG1 B:THR100 4.4 36.9 1.0
CA B:SER102 4.5 27.2 0.5
CB B:HIS64 4.5 40.7 1.0
O B:TYR101 4.5 29.2 1.0
ND1 B:HIS64 4.6 53.2 1.0
CE1 B:HIS64 4.7 58.3 1.0
O B:HOH485 4.9 52.1 1.0
O B:THR96 5.0 37.6 1.0

Reference:

C.Pham, P.J.Stogios, R.Mahadevan, A.Savchenko. The Crystal Structure of Pseudomonas Putida Pcar To Be Published.
Page generated: Tue Jul 30 09:01:08 2024

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