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Chlorine in PDB 3geu: Crystal Structure of Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family

Protein crystallography data

The structure of Crystal Structure of Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family, PDB code: 3geu was solved by S.M.Anderson, J.S.Brunzelle, Z.Wawrzak, T.Skarina, L.Papazisi, W.F.Anderson, A.Savchenko, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.42 / 1.90
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 113.922, 121.141, 61.686, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 22.8

Other elements in 3geu:

The structure of Crystal Structure of Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family (pdb code 3geu). 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 Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family, PDB code: 3geu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3geu

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Chlorine binding site 1 out of 6 in the Crystal Structure of Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family


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 Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl187

b:24.8
occ:0.50
 OG A:SER170 3.0 23.5 1.0
NZ A:LYS173 3.3 27.9 1.0
CE A:LYS173 3.6 29.3 1.0
CB A:SER170 3.9 20.4 1.0
CZ A:PHE86 4.0 21.9 1.0
O A:HOH322 4.2 40.3 1.0
CA A:SER170 4.2 24.1 1.0
CE1 A:PHE86 4.6 26.3 1.0
CE2 A:PHE86 4.9 24.6 1.0
O A:HOH318 4.9 34.1 1.0
O A:SER170 5.0 24.3 1.0

Chlorine binding site 2 out of 6 in 3geu

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Chlorine binding site 2 out of 6 in the Crystal Structure of Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family


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 Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl187

b:53.1
occ:1.00
 O B:HOH378 2.2 47.8 1.0
O B:HOH206 2.4 45.6 1.0
NE2 B:HIS40 2.6 42.4 1.0
CD2 B:HIS40 3.2 35.7 1.0
CD2 B:TYR39 3.3 35.8 1.0
CE1 B:HIS40 3.8 32.5 1.0
CB B:TYR39 3.8 35.4 1.0
CG B:TYR39 4.0 35.9 1.0
CG B:MSE1 4.1 51.6 1.0
CE2 B:TYR39 4.3 34.6 1.0
O B:SER36 4.4 28.5 1.0
CG B:HIS40 4.5 35.8 1.0
CB B:MSE1 4.6 44.8 1.0
ND1 B:HIS40 4.7 37.1 1.0

Chlorine binding site 3 out of 6 in 3geu

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Chlorine binding site 3 out of 6 in the Crystal Structure of Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family


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 Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl188

b:40.0
occ:0.50
 O A:HOH413 2.2 39.6 1.0
NZ B:LYS155 2.7 32.8 1.0
OG B:SER151 2.8 30.5 1.0
O A:HOH262 3.0 29.8 1.0
OE1 B:GLU175 3.1 41.0 1.0
CE B:LYS155 3.3 39.4 1.0
NE1 B:TRP152 3.3 32.5 1.0
CD1 B:TRP152 3.7 30.2 1.0
CB B:SER151 3.7 30.4 1.0
CD B:GLU175 4.1 39.5 1.0
CB A:LEU147 4.2 28.6 1.0
CE2 B:TRP152 4.3 33.5 1.0
OE1 A:GLU150 4.4 35.3 1.0
CE1 B:PHE148 4.4 37.2 1.0
CD1 B:PHE148 4.4 31.4 1.0
CA A:LEU147 4.4 26.2 1.0
O B:HOH309 4.5 53.5 1.0
OE2 B:GLU175 4.6 45.3 1.0
O B:PHE148 4.7 23.8 1.0
CG B:TRP152 4.7 25.8 1.0
CD B:LYS155 4.8 37.0 1.0
N A:LEU147 4.8 22.3 1.0
C B:SER151 4.9 30.1 1.0
CA B:SER151 4.9 28.4 1.0
CZ2 B:TRP152 4.9 36.6 1.0

Chlorine binding site 4 out of 6 in 3geu

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Chlorine binding site 4 out of 6 in the Crystal Structure of Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family


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 Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl187

b:35.6
occ:0.50
 CL C:CL187 0.0 35.6 0.5
CL C:CL187 1.7 38.2 0.5
N C:LEU23 3.2 25.2 1.0
O C:HOH377 3.3 39.5 1.0
CG C:LEU23 3.7 27.9 1.0
CB C:LEU23 3.8 22.3 1.0
CA C:THR22 3.9 28.1 1.0
CD1 C:LEU23 4.1 19.0 1.0
C C:THR22 4.1 22.7 1.0
CB C:THR22 4.1 32.7 1.0
CA C:LEU23 4.2 25.3 1.0
CD C:LYS44 4.5 40.6 1.0
NZ C:LYS44 4.7 37.7 1.0
CG2 C:THR22 4.7 36.5 1.0
CD2 C:LEU23 5.0 27.4 1.0
NZ C:LYS34 5.0 51.7 1.0

Chlorine binding site 5 out of 6 in 3geu

Go back to Chlorine Binding Sites List in 3geu
Chlorine binding site 5 out of 6 in the Crystal Structure of Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family


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 Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl187

b:38.2
occ:0.50
 CL C:CL187 0.0 38.2 0.5
CL C:CL187 1.7 35.6 0.5
NZ C:LYS44 3.1 37.7 1.0
CD C:LYS44 3.5 40.6 1.0
CA C:THR22 3.6 28.1 1.0
N C:LEU23 3.8 25.2 1.0
CE C:LYS44 3.8 37.8 1.0
O C:THR21 3.9 25.7 1.0
CB C:THR22 4.1 32.7 1.0
C C:THR22 4.2 22.7 1.0
O C:HOH215 4.4 46.8 1.0
CG2 C:THR22 4.4 36.5 1.0
CG C:LEU23 4.6 27.9 1.0
N C:THR22 4.6 28.0 1.0
O C:HOH377 4.7 39.5 1.0
C C:THR21 4.7 26.3 1.0
CG C:LYS44 4.7 27.6 1.0
CA C:LEU23 5.0 25.3 1.0

Chlorine binding site 6 out of 6 in 3geu

Go back to Chlorine Binding Sites List in 3geu
Chlorine binding site 6 out of 6 in the Crystal Structure of Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family


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 Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl188

b:27.1
occ:0.50
 OG C:SER170 3.1 26.8 1.0
NZ C:LYS173 3.3 28.9 1.0
CE C:LYS173 3.6 42.5 1.0
CB C:SER170 3.7 21.6 1.0
CZ C:PHE86 4.0 25.2 1.0
O C:HOH238 4.1 27.1 0.5
CA C:SER170 4.2 21.2 1.0
CE1 C:PHE86 4.6 25.3 1.0
CD C:LYS173 4.7 47.0 1.0
O C:SER170 4.9 21.6 1.0
CE2 C:PHE86 4.9 23.1 1.0
O C:HOH353 5.0 35.4 1.0
C C:SER170 5.0 18.9 1.0

Reference:

S.M.Anderson, J.S.Brunzelle, Z.Wawrzak, T.Skarina, L.Papazisi, W.F.Anderson, A.Savchenko, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Icar From Staphylococcus Aureus, A Member of the Tetracycline Repressor Protein Family To Be Published.
Page generated: Fri Jul 11 05:38:55 2025

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