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Chlorine in PDB 8vl8: Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7

Protein crystallography data

The structure of Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7, PDB code: 8vl8 was solved by S.Glenn, A.Baylink, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.50 / 2.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 126.022, 74.771, 128.931, 90, 116.14, 90
R / Rfree (%) 22.6 / 27.3

Other elements in 8vl8:

The structure of Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7 also contains other interesting chemical elements:

Potassium (K) 1 atom
Sodium (Na) 10 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7 (pdb code 8vl8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7, PDB code: 8vl8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 8vl8

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Chlorine binding site 1 out of 7 in the Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:53.5
occ:1.00
 O B:HOH328 3.3 22.6 1.0
N A:SER158 3.6 19.7 1.0
CB A:GLN157 3.6 16.1 1.0
CB A:PRO155 3.8 15.0 1.0
CA A:PRO155 3.9 19.9 1.0
O A:HOH328 4.1 18.7 1.0
CB A:SER158 4.2 18.5 1.0
O A:PRO155 4.2 27.9 1.0
C A:GLN157 4.2 20.4 1.0
CA A:GLN157 4.3 20.2 1.0
N A:GLN157 4.3 15.0 1.0
C A:PRO155 4.3 19.0 1.0
O A:HOH324 4.3 31.0 1.0
CA A:SER158 4.4 16.8 1.0
CG A:GLN157 4.5 17.7 1.0
O B:HOH332 4.6 24.3 1.0
OG A:SER158 4.7 18.2 1.0

Chlorine binding site 2 out of 7 in 8vl8

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Chlorine binding site 2 out of 7 in the Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:47.8
occ:1.00
 N A:ASN149 3.1 16.6 1.0
N A:GLU150 3.1 16.7 1.0
C A:LYS147 3.4 18.0 1.0
CB A:ASN149 3.4 23.7 1.0
CA A:LYS147 3.5 25.1 1.0
N A:ILE148 3.6 17.9 1.0
CA A:ASN149 3.6 22.7 1.0
O A:LYS147 3.7 20.6 1.0
CB A:GLU150 3.8 24.3 1.0
C A:ASN149 3.9 29.5 1.0
CB A:LYS147 3.9 24.3 1.0
C A:ILE148 4.0 15.5 1.0
CA A:GLU150 4.1 22.0 1.0
CG A:LYS147 4.2 28.9 1.0
OD1 A:ASN149 4.2 23.8 1.0
CG A:ASN149 4.3 19.2 1.0
CA A:ILE148 4.4 22.6 1.0
OE1 A:GLU150 4.5 31.1 1.0
O A:HOH326 4.7 26.6 1.0
CG2 A:ILE148 4.9 17.8 1.0
N A:LYS147 4.9 30.4 1.0
N A:PHE151 5.0 14.4 1.0

Chlorine binding site 3 out of 7 in 8vl8

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Chlorine binding site 3 out of 7 in the Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl206

b:46.2
occ:1.00
 N B:ASN149 3.2 25.0 1.0
C B:LYS147 3.3 23.5 1.0
N B:ILE148 3.4 23.5 1.0
CA B:LYS147 3.4 32.0 1.0
N B:GLU150 3.6 25.8 1.0
CB B:ASN149 3.6 31.4 1.0
O B:LYS147 3.7 22.6 1.0
CA B:ASN149 3.9 27.9 1.0
CB B:LYS147 3.9 26.3 1.0
ND2 B:ASN149 3.9 34.3 1.0
CG B:GLU150 4.1 33.6 1.0
CG B:LYS147 4.2 29.5 1.0
C B:ILE148 4.2 32.9 1.0
C B:ASN149 4.2 27.1 1.0
CG B:ASN149 4.3 38.1 1.0
CA B:ILE148 4.4 21.9 1.0
CB B:GLU150 4.4 26.4 1.0
CA B:GLU150 4.6 26.6 1.0
O B:GLY146 4.7 25.7 1.0
N B:LYS147 4.7 32.6 1.0
CG2 B:ILE148 4.8 29.5 1.0
OE2 B:GLU150 4.9 54.8 1.0

Chlorine binding site 4 out of 7 in 8vl8

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Chlorine binding site 4 out of 7 in the Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl207

b:48.8
occ:1.00
 N B:SER158 3.2 16.1 1.0
CB B:PRO155 3.3 20.9 1.0
CA B:PRO155 3.4 19.0 1.0
CB B:SER158 3.5 13.8 1.0
C B:PRO155 3.6 23.6 1.0
CB B:GLN157 3.6 15.0 1.0
O B:PRO155 3.7 23.7 1.0
CA B:SER158 3.9 13.4 1.0
O A:HOH332 3.9 20.9 1.0
N B:GLN157 4.0 15.2 1.0
C B:GLN157 4.0 15.8 1.0
O B:HOH314 4.1 15.2 1.0
CA B:GLN157 4.1 14.7 1.0
OG B:SER158 4.4 31.0 1.0
N B:THR156 4.4 29.4 1.0
C B:THR156 4.7 15.5 1.0
CG B:GLN157 4.7 15.3 1.0
CG B:PRO155 4.8 21.3 1.0
O B:HOH322 4.8 19.1 1.0
N B:PRO155 4.8 22.1 1.0

Chlorine binding site 5 out of 7 in 8vl8

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Chlorine binding site 5 out of 7 in the Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:43.4
occ:1.00
 N C:ASN149 3.1 28.1 1.0
N C:GLU150 3.2 26.3 1.0
C C:LYS147 3.3 21.2 1.0
CA C:LYS147 3.4 20.2 1.0
N C:ILE148 3.5 18.5 1.0
CB C:ASN149 3.5 21.6 1.0
O C:LYS147 3.7 27.7 1.0
CA C:ASN149 3.7 27.4 1.0
CB C:LYS147 3.8 21.3 1.0
C C:ASN149 3.9 27.6 1.0
CB C:GLU150 4.0 22.9 1.0
C C:ILE148 4.1 29.1 1.0
OD1 C:ASN149 4.2 30.3 1.0
CA C:GLU150 4.2 25.3 1.0
CA C:ILE148 4.3 17.7 1.0
CG C:ASN149 4.4 27.0 1.0
CG C:LYS147 4.4 26.8 1.0
N C:LYS147 4.7 24.9 1.0
OE1 C:GLU150 4.8 24.5 1.0
CG2 C:ILE148 4.9 23.7 1.0
O C:GLY146 4.9 33.6 1.0
CD C:LYS147 5.0 33.8 1.0

Chlorine binding site 6 out of 7 in 8vl8

Go back to Chlorine Binding Sites List in 8vl8
Chlorine binding site 6 out of 7 in the Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl202

b:48.5
occ:1.00
 N D:ASN149 3.0 20.1 1.0
N D:GLU150 3.2 21.0 1.0
C D:LYS147 3.3 22.7 1.0
CB D:ASN149 3.3 22.3 1.0
CA D:LYS147 3.4 21.0 1.0
N D:ILE148 3.5 19.7 1.0
CA D:ASN149 3.6 27.3 1.0
CB D:LYS147 3.7 22.0 1.0
O D:LYS147 3.8 20.7 1.0
CB D:GLU150 3.9 22.5 1.0
C D:ASN149 4.0 20.2 1.0
ND2 D:ASN149 4.0 35.4 1.0
C D:ILE148 4.1 34.4 1.0
CG D:ASN149 4.2 26.0 1.0
CA D:GLU150 4.2 21.1 1.0
CG D:LYS147 4.3 29.7 1.0
CA D:ILE148 4.4 27.4 1.0
OE1 D:GLU150 4.5 38.4 1.0
N D:LYS147 4.8 23.1 1.0
CG2 D:ILE148 4.9 18.8 1.0
O D:GLY146 5.0 24.0 1.0

Chlorine binding site 7 out of 7 in 8vl8

Go back to Chlorine Binding Sites List in 8vl8
Chlorine binding site 7 out of 7 in the Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Salmonella Enterica Typhimurium Taxis to Serine and Repellents (Tsr) Ligand-Binding Domain with L-Ser, pH 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl203

b:51.7
occ:1.00
 N D:SER158 3.3 21.1 1.0
O C:HOH332 3.4 24.6 1.0
CB D:PRO155 3.4 22.1 1.0
CA D:PRO155 3.4 26.5 1.0
O D:PRO155 3.5 20.0 1.0
C D:PRO155 3.6 29.2 1.0
CB D:SER158 3.7 23.4 1.0
CB D:GLN157 3.7 20.5 1.0
N D:GLN157 3.8 19.5 1.0
CA D:SER158 4.1 22.4 1.0
C D:GLN157 4.1 29.9 1.0
OG D:SER158 4.1 37.9 1.0
CA D:GLN157 4.1 22.8 1.0
O D:HOH303 4.3 24.4 1.0
N D:THR156 4.5 28.8 1.0
CG D:GLN157 4.7 22.0 1.0
C D:THR156 4.8 18.6 1.0
CG D:PRO155 4.8 22.5 1.0
N D:PRO155 4.9 24.1 1.0
O C:HOH330 4.9 31.5 1.0
O D:HOH319 5.0 43.6 1.0

Reference:

S.Glenn, Z.Gentry-Lear, M.Shavlik, M.J.Harms, T.J.Asaki, A.Baylink. Human Serum Is A Potent Chemoattractant For Enterobacteriaceae Species Associated with Gastrointestinal Bleeding Elife 2024.
ISSN: ESSN 2050-084X
DOI: 10.7554/ELIFE.93178.1
Page generated: Tue Jul 30 13:41:24 2024

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