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Chlorine in PDB 2gjv: Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium

Protein crystallography data

The structure of Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium, PDB code: 2gjv was solved by G.Minasov, L.Shuvalova, J.S.Brunzelle, I.I.Vorontsov, F.R.Collart, A.Joachimiak, W.F.Anderson, Midwest Center For Structural Genomics(Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.90 / 2.39
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 134.137, 76.995, 85.112, 90.00, 109.25, 90.00
R / Rfree (%) 16.8 / 24.9

Other elements in 2gjv:

The structure of Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium also contains other interesting chemical elements:

Calcium (Ca) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium (pdb code 2gjv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium, PDB code: 2gjv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 2gjv

Go back to Chlorine Binding Sites List in 2gjv
Chlorine binding site 1 out of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium


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 A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl152

b:40.5
occ:1.00
O A:HOH257 2.8 32.0 1.0
O A:HOH165 2.8 18.8 1.0
N A:ASP20 3.0 30.0 1.0
CA A:ASP20 3.4 31.4 1.0
CB A:ASP20 3.4 31.6 1.0
C A:ASN18 3.6 26.8 1.0
C A:ASP20 3.6 31.5 1.0
CA A:ASN18 3.7 26.2 1.0
O A:ASN18 3.9 26.4 1.0
N A:MET21 3.9 31.6 1.0
CB A:ASN18 3.9 25.6 1.0
N A:PRO19 3.9 27.5 1.0
O A:ASP20 4.2 31.3 1.0
C A:PRO19 4.2 29.1 1.0
CG A:MET21 4.2 32.6 1.0
CD A:PRO19 4.4 27.1 1.0
OD1 A:ASN18 4.4 25.4 1.0
CA A:PRO19 4.6 28.2 1.0
CG A:ASN18 4.7 26.9 1.0
CG A:ASP20 4.8 34.6 1.0
CA A:MET21 4.8 32.4 1.0
CB A:MET21 4.8 32.3 1.0
CG A:PRO19 4.9 27.9 1.0

Chlorine binding site 2 out of 6 in 2gjv

Go back to Chlorine Binding Sites List in 2gjv
Chlorine binding site 2 out of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium


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 A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl152

b:44.6
occ:1.00
O B:HOH203 2.8 26.1 1.0
O B:HOH191 2.9 27.6 1.0
N B:ASP20 3.0 27.8 1.0
C B:ASN18 3.5 24.8 1.0
N B:PRO19 3.5 25.0 1.0
CB B:ASP20 3.5 29.6 1.0
CA B:ASN18 3.6 24.0 1.0
CD B:PRO19 3.7 24.4 1.0
CA B:ASP20 3.7 29.5 1.0
O B:ASN18 3.9 25.2 1.0
C B:PRO19 4.1 26.4 1.0
CB B:ASN18 4.1 23.5 1.0
N B:MET21 4.1 29.6 1.0
CG B:ASP20 4.1 33.7 1.0
CG B:PRO19 4.1 24.6 1.0
C B:ASP20 4.2 29.8 1.0
OD2 B:ASP20 4.2 36.7 1.0
CA B:PRO19 4.3 25.7 1.0
CG B:MET21 4.6 29.4 1.0
OD1 B:ASN18 4.8 20.4 1.0
CB B:PRO19 4.9 25.5 1.0
OD1 B:ASP20 4.9 36.0 1.0
N B:ASN18 5.0 24.5 1.0
CG B:ASN18 5.0 21.9 1.0

Chlorine binding site 3 out of 6 in 2gjv

Go back to Chlorine Binding Sites List in 2gjv
Chlorine binding site 3 out of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium


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 A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl152

b:35.9
occ:1.00
N C:ASP20 3.0 26.0 1.0
C C:ASN18 3.4 24.5 1.0
CA C:ASN18 3.5 24.4 1.0
N C:PRO19 3.5 24.6 1.0
CB C:ASP20 3.5 27.3 1.0
CD C:PRO19 3.6 25.0 1.0
CA C:ASP20 3.6 27.1 1.0
CB C:ASN18 3.9 23.7 1.0
O C:ASN18 4.0 25.1 1.0
N C:MET21 4.1 28.5 1.0
C C:ASP20 4.1 27.9 1.0
C C:PRO19 4.1 25.0 1.0
CG C:PRO19 4.1 23.9 1.0
CG C:ASP20 4.3 29.5 1.0
CA C:PRO19 4.3 24.8 1.0
OD2 C:ASP20 4.4 32.8 1.0
CG C:MET21 4.6 29.9 1.0
OD1 C:ASN18 4.6 25.7 1.0
N C:ASN18 4.8 25.4 1.0
CG C:ASN18 4.8 25.3 1.0
O C:LEU17 4.9 25.0 1.0
O C:ASP20 4.9 27.3 1.0
CB C:PRO19 4.9 24.6 1.0

Chlorine binding site 4 out of 6 in 2gjv

Go back to Chlorine Binding Sites List in 2gjv
Chlorine binding site 4 out of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium


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 A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl152

b:48.6
occ:1.00
O D:HOH251 2.7 24.5 1.0
O D:HOH256 2.9 25.0 1.0
N D:ASP20 3.2 27.5 1.0
C D:ASN18 3.4 24.2 1.0
N D:PRO19 3.5 25.1 1.0
CA D:ASN18 3.5 24.1 1.0
CD D:PRO19 3.5 24.7 1.0
CB D:ASP20 3.5 29.5 1.0
O D:HOH257 3.5 30.8 1.0
CA D:ASP20 3.8 29.0 1.0
O D:ASN18 3.9 24.8 1.0
OD2 D:ASP20 4.0 35.9 1.0
CB D:ASN18 4.0 23.5 1.0
CG D:PRO19 4.0 25.3 1.0
CG D:ASP20 4.0 32.5 1.0
C D:PRO19 4.2 26.7 1.0
N D:MET21 4.3 29.5 1.0
CA D:PRO19 4.3 25.9 1.0
C D:ASP20 4.5 28.9 1.0
OD1 D:ASN18 4.6 27.9 1.0
N D:ASN18 4.8 23.6 1.0
CG D:ASN18 4.8 24.9 1.0
O D:LEU17 4.8 22.7 1.0
CG D:MET21 4.8 29.1 1.0
CB D:PRO19 4.9 25.7 1.0

Chlorine binding site 5 out of 6 in 2gjv

Go back to Chlorine Binding Sites List in 2gjv
Chlorine binding site 5 out of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium


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 A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl152

b:38.9
occ:1.00
O E:HOH228 2.9 34.1 1.0
N E:ASP20 3.2 27.1 1.0
O E:HOH193 3.5 44.0 1.0
C E:ASN18 3.5 24.8 1.0
CA E:ASN18 3.5 25.1 1.0
N E:PRO19 3.5 24.9 1.0
CD E:PRO19 3.6 24.9 1.0
CB E:ASP20 3.6 28.5 1.0
CA E:ASP20 3.9 28.3 1.0
CB E:ASN18 4.0 25.4 1.0
O E:ASN18 4.1 23.9 1.0
CG E:PRO19 4.1 25.0 1.0
C E:PRO19 4.3 26.3 1.0
CG E:ASP20 4.3 29.7 1.0
N E:MET21 4.3 29.1 1.0
C E:ASP20 4.4 28.9 1.0
CA E:PRO19 4.4 25.6 1.0
OD2 E:ASP20 4.5 30.9 1.0
OD1 E:ASN18 4.7 28.2 1.0
CG E:MET21 4.7 31.1 1.0
N E:ASN18 4.8 25.5 1.0
O E:LEU17 4.8 25.3 1.0
CG E:ASN18 4.9 26.8 1.0
CB E:PRO19 5.0 25.2 1.0

Chlorine binding site 6 out of 6 in 2gjv

Go back to Chlorine Binding Sites List in 2gjv
Chlorine binding site 6 out of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium


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 A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl152

b:54.8
occ:1.00
N F:ASP20 3.2 28.2 1.0
CB F:ASP20 3.3 29.6 1.0
C F:ASN18 3.4 25.8 1.0
CA F:ASN18 3.5 25.2 1.0
CA F:ASP20 3.7 29.3 1.0
N F:PRO19 3.7 26.0 1.0
CG F:ASP20 3.7 32.6 1.0
CB F:ASN18 3.8 24.3 1.0
OD2 F:ASP20 3.8 34.5 1.0
O F:ASN18 3.8 26.7 1.0
CD F:PRO19 3.9 26.4 1.0
N F:MET21 4.1 28.7 1.0
C F:ASP20 4.2 28.7 1.0
C F:PRO19 4.3 27.3 1.0
OD1 F:ASN18 4.3 23.4 1.0
CG F:PRO19 4.5 25.7 1.0
OD1 F:ASP20 4.5 35.0 1.0
CA F:PRO19 4.5 26.5 1.0
CG F:ASN18 4.6 25.0 1.0
CG F:MET21 4.6 30.1 1.0
N F:ASN18 4.8 25.0 1.0
O F:LEU17 4.8 25.3 1.0

Reference:

G.Minasov, L.Shuvalova, J.S.Brunzelle, I.I.Vorontsov, F.R.Collart, W.F.Anderson. Crystal Structure of A Hypothetical Protein From Salmonella Typhimurium To Be Published.
Page generated: Sat Dec 12 09:06:18 2020

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