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Chlorine in PDB 4exl: Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A

Protein crystallography data

The structure of Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A, PDB code: 4exl was solved by P.J.Stogios, Z.Wawrzak, M.Kudritska, G.Minasov, V.Yim, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.85 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 56.633, 76.501, 111.066, 90.00, 93.88, 90.00
R / Rfree (%) 16.5 / 21.1

Other elements in 4exl:

The structure of Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A (pdb code 4exl). 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 Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A, PDB code: 4exl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4exl

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Chlorine binding site 1 out of 7 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


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 Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:26.5
occ:0.92
 N A:ASP119 2.9 22.2 1.0
N A:LYS145 3.1 24.5 1.0
NZ A:LYS145 3.2 41.9 1.0
CB A:ASP119 3.4 31.9 1.0
CA A:GLY144 3.5 20.6 1.0
CA A:ASP119 3.6 26.7 1.0
N A:VAL120 3.7 18.8 1.0
CE A:LYS145 3.8 45.1 1.0
C A:GLY144 3.9 22.3 1.0
CB A:TRP139 3.9 18.4 1.0
C A:VAL118 3.9 19.9 1.0
CG2 A:VAL120 4.0 21.3 1.0
CB A:LYS145 4.0 35.3 1.0
CA A:VAL118 4.1 16.5 1.0
CG A:ASP119 4.1 42.8 1.0
C A:ASP119 4.2 25.0 1.0
CA A:LYS145 4.2 29.8 1.0
CG A:LYS145 4.2 38.7 1.0
CG1 A:VAL118 4.2 17.0 1.0
OD2 A:ASP119 4.4 48.9 1.0
CG A:TRP139 4.4 19.3 1.0
CD A:LYS145 4.6 60.0 1.0
O A:GLU117 4.6 21.6 1.0
O A:LYS145 4.6 25.6 1.0
CB A:VAL118 4.7 15.0 1.0
CB A:VAL120 4.7 17.2 1.0
CA A:VAL120 4.8 17.9 1.0
N A:GLY144 4.8 23.6 1.0
C A:LYS145 4.9 27.4 1.0
OD1 A:ASP119 4.9 46.5 1.0
CD2 A:TRP139 5.0 17.7 1.0

Chlorine binding site 2 out of 7 in 4exl

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Chlorine binding site 2 out of 7 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


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 Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:12.5
occ:0.55
 O A:HOH433 3.1 15.9 1.0
O A:HOH572 3.1 25.6 1.0
O A:HOH451 3.2 18.8 1.0
CA A:SER233 3.5 12.0 1.0
N A:TYR234 3.6 10.0 1.0
CB A:SER233 3.6 16.4 1.0
CE1 A:PHE88 3.6 17.0 1.0
CE A:LYS279 3.7 15.5 1.0
CD2 A:TYR234 3.9 11.2 1.0
C A:SER233 4.0 12.0 1.0
CD1 A:PHE88 4.1 18.3 1.0
NZ A:LYS279 4.4 15.1 1.0
O A:TRP232 4.5 12.2 1.0
CE2 A:TYR234 4.6 12.5 1.0
CG A:TYR234 4.7 11.9 1.0
CB A:TYR234 4.7 11.4 1.0
CA A:TYR234 4.7 10.0 1.0
O A:HOH455 4.8 17.4 1.0
CZ A:PHE88 4.8 14.6 1.0
N A:SER233 4.8 10.6 1.0
O A:HOH577 4.8 36.4 1.0
CD A:LYS279 4.9 20.8 1.0
OG A:SER233 5.0 15.5 1.0

Chlorine binding site 3 out of 7 in 4exl

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Chlorine binding site 3 out of 7 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


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 Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:21.3
occ:0.97
 N B:ASP119 3.1 18.6 1.0
O B:HOH782 3.2 28.1 1.0
N B:LYS145 3.3 19.2 1.0
O B:HOH788 3.3 31.1 0.7
N B:VAL120 3.6 19.5 1.0
CA B:GLY144 3.6 20.9 1.0
CG2 B:VAL120 3.7 20.7 1.0
CA B:ASP119 3.9 20.6 1.0
CB B:ASP119 3.9 25.2 1.0
C B:GLY144 4.0 19.1 1.0
C B:VAL118 4.1 19.1 1.0
CA B:VAL118 4.1 18.8 1.0
CB B:TRP139 4.2 16.0 1.0
CB B:LYS145 4.2 24.0 1.0
C B:ASP119 4.2 22.3 1.0
CG1 B:VAL118 4.3 15.0 1.0
CA B:LYS145 4.3 21.7 1.0
CG B:LYS145 4.3 48.6 1.0
CB B:VAL120 4.4 18.9 1.0
O B:GLU117 4.6 21.7 1.0
CA B:VAL120 4.6 19.3 1.0
CG B:TRP139 4.7 14.2 1.0
O B:LYS145 4.7 19.4 1.0
CG B:ASP119 4.8 29.0 1.0
CB B:VAL118 4.8 16.9 1.0
N B:GLY144 4.9 21.5 1.0

Chlorine binding site 4 out of 7 in 4exl

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Chlorine binding site 4 out of 7 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


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 Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:15.2
occ:1.00
 O B:HOH509 3.2 16.6 1.0
O B:HOH594 3.3 19.4 1.0
O B:HOH434 3.3 16.9 1.0
N B:TYR234 3.4 12.0 1.0
CA B:SER233 3.5 10.2 1.0
CB B:SER233 3.6 15.0 1.0
CE1 B:PHE88 3.7 15.1 1.0
CE B:LYS279 3.8 12.1 1.0
CD2 B:TYR234 3.9 15.4 1.0
C B:SER233 3.9 12.1 1.0
O B:HOH435 4.0 15.7 1.0
NZ B:LYS279 4.2 11.4 1.0
CD1 B:PHE88 4.2 15.6 1.0
O B:TRP232 4.4 13.5 1.0
OG1 B:THR163 4.4 21.2 1.0
CB B:TYR234 4.5 12.4 1.0
CA B:TYR234 4.5 12.2 1.0
CG B:TYR234 4.5 14.3 1.0
O B:HOH496 4.6 17.0 1.0
CE2 B:TYR234 4.6 16.7 1.0
N B:SER233 4.7 11.0 1.0
CZ B:PHE88 4.7 14.9 1.0
CD B:LYS279 4.9 13.3 1.0
O B:HOH653 4.9 21.2 1.0
OG B:SER233 4.9 15.8 1.0
CB B:THR163 5.0 20.1 1.0
O B:TYR234 5.0 14.5 1.0

Chlorine binding site 5 out of 7 in 4exl

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Chlorine binding site 5 out of 7 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


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 Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:28.0
occ:1.00
 N C:ASP119 3.0 25.0 1.0
O C:HOH622 3.2 36.5 1.0
N C:LYS145 3.2 21.9 1.0
CE C:LYS145 3.4 42.8 1.0
CA C:GLY144 3.6 19.4 1.0
N C:VAL120 3.6 19.9 1.0
CG C:LYS145 3.6 35.6 1.0
CA C:ASP119 3.8 27.2 1.0
CB C:ASP119 3.9 32.8 1.0
C C:GLY144 3.9 21.3 1.0
CG2 C:VAL120 4.0 31.0 1.0
C C:VAL118 4.0 24.8 1.0
C C:ASP119 4.1 22.0 1.0
CD C:LYS145 4.1 42.1 1.0
CA C:VAL118 4.1 22.7 1.0
CB C:TRP139 4.1 19.9 1.0
CB C:LYS145 4.2 32.5 1.0
CA C:LYS145 4.2 27.0 1.0
CG1 C:VAL118 4.3 18.2 1.0
O C:GLU117 4.5 30.0 1.0
NZ C:LYS145 4.6 45.6 1.0
CB C:VAL120 4.7 27.8 1.0
CG C:TRP139 4.7 18.8 1.0
CA C:VAL120 4.7 20.7 1.0
CG C:ASP119 4.7 38.8 1.0
O C:LYS145 4.7 22.2 1.0
CB C:VAL118 4.8 18.6 1.0
OD2 C:ASP119 4.9 40.3 1.0
N C:GLY144 4.9 19.2 1.0
O C:HOH624 4.9 41.9 1.0
C C:LYS145 4.9 21.5 1.0
O C:HOH625 5.0 42.4 1.0

Chlorine binding site 6 out of 7 in 4exl

Go back to Chlorine Binding Sites List in 4exl
Chlorine binding site 6 out of 7 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


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 Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:28.2
occ:0.86
 O D:HOH583 3.1 32.2 1.0
O D:HOH450 3.1 31.6 1.0
O D:HOH490 3.2 22.5 1.0
N D:TYR234 3.4 20.0 1.0
CA D:SER233 3.5 19.1 1.0
CE1 D:PHE88 3.6 24.1 1.0
CB D:SER233 3.6 21.3 1.0
CD2 D:TYR234 3.9 26.0 1.0
CE D:LYS279 3.9 24.9 1.0
C D:SER233 4.0 19.9 1.0
CD1 D:PHE88 4.1 25.7 1.0
O D:HOH552 4.4 30.0 1.0
NZ D:LYS279 4.4 25.2 1.0
CB D:TYR234 4.5 23.7 1.0
CG D:TYR234 4.6 23.8 1.0
CA D:TYR234 4.6 22.2 1.0
O D:TRP232 4.6 19.7 1.0
O D:HOH540 4.6 37.1 1.0
CZ D:PHE88 4.6 25.0 1.0
CE2 D:TYR234 4.7 26.6 1.0
N D:SER233 4.8 18.1 1.0
CD D:LYS279 4.9 26.8 1.0
OG D:SER233 4.9 23.0 1.0
CG D:LYS279 5.0 23.2 1.0

Chlorine binding site 7 out of 7 in 4exl

Go back to Chlorine Binding Sites List in 4exl
Chlorine binding site 7 out of 7 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


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 Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:27.4
occ:0.86
 N D:ASP119 3.1 30.2 1.0
N D:LYS145 3.2 28.3 1.0
CG D:LYS145 3.6 36.1 1.0
CA D:GLY144 3.6 25.7 1.0
N D:VAL120 3.6 24.4 1.0
O D:HOH604 3.6 46.4 1.0
CE D:LYS145 3.8 49.2 1.0
CA D:ASP119 3.9 33.2 1.0
C D:GLY144 3.9 27.8 1.0
CB D:ASP119 3.9 37.6 1.0
CG2 D:VAL120 4.0 23.4 1.0
CB D:TRP139 4.1 23.5 1.0
C D:VAL118 4.1 28.4 1.0
CA D:VAL118 4.2 29.2 1.0
C D:ASP119 4.2 28.9 1.0
CD D:LYS145 4.3 50.4 1.0
CA D:LYS145 4.3 29.8 1.0
CB D:LYS145 4.3 35.2 1.0
CG1 D:VAL118 4.4 24.3 1.0
CB D:VAL120 4.6 23.9 1.0
O D:LYS145 4.6 27.0 1.0
CG D:TRP139 4.6 23.1 1.0
O D:GLU117 4.7 31.3 1.0
CA D:VAL120 4.7 24.5 1.0
CG D:ASP119 4.8 41.4 1.0
N D:GLY144 4.8 23.8 1.0
CB D:VAL118 4.9 26.7 1.0
C D:LYS145 4.9 28.6 1.0

Reference:

P.J.Stogios, Z.Wawrzak, M.Kudritska, G.Minasov, V.Yim, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate-Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A To Be Published.
Page generated: Sat Dec 12 10:36:02 2020

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