Chlorine in PDB 5tpi: 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae.

Protein crystallography data

The structure of 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae., PDB code: 5tpi was solved by G.Minasov, Z.Wawrzak, J.Sandoval, E.Evdokimova, S.Grimshaw, K.Kwon, A.Savchenko, W.F.Anderson, 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) 26.35 / 1.47
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 93.756, 40.228, 68.211, 90.00, 129.41, 90.00
R / Rfree (%) 13.7 / 18.1

Other elements in 5tpi:

The structure of 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae. also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae. (pdb code 5tpi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae., PDB code: 5tpi:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5tpi

Go back to Chlorine Binding Sites List in 5tpi
Chlorine binding site 1 out of 3 in the 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:16.8
occ:1.00
OG A:SER98 3.0 15.9 1.0
OH A:TYR218 3.1 18.6 1.0
O A:HOH570 3.3 23.8 1.0
ND2 A:ASN191 3.4 14.8 1.0
N A:SER98 3.5 14.2 1.0
CB A:SER98 3.6 16.4 1.0
CE2 A:TYR218 3.8 15.4 1.0
CZ A:TYR218 3.9 14.7 1.0
CE2 A:PHE188 3.9 17.3 1.0
CB A:LEU96 3.9 14.8 1.0
CD2 A:PHE188 4.0 18.5 1.0
N A:GLU97 4.0 13.8 1.0
CB A:ASN191 4.1 17.9 1.0
CA A:SER98 4.2 15.0 1.0
CG A:ASN191 4.3 16.3 1.0
O A:HOH479 4.3 18.4 1.0
CB A:GLU97 4.3 17.9 1.0
CE2 A:TYR194 4.4 13.6 1.0
CA A:GLU97 4.5 15.7 1.0
C A:GLU97 4.5 14.9 1.0
CD1 A:LEU96 4.6 15.3 1.0
CD2 A:LEU96 4.6 18.1 1.0
C A:LEU96 4.6 14.0 1.0
CG A:LEU96 4.6 14.2 1.0
CA A:LEU96 4.7 13.8 1.0
CD2 A:TYR194 4.8 15.6 1.0

Chlorine binding site 2 out of 3 in 5tpi

Go back to Chlorine Binding Sites List in 5tpi
Chlorine binding site 2 out of 3 in the 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:23.9
occ:0.60
CL A:CL302 0.0 23.9 0.6
CL A:CL302 1.2 35.5 0.4
O A:HOH525 3.0 34.7 1.0
NE1 A:TRP263 3.3 16.3 1.0
CA A:PRO147 3.4 23.8 1.0
N A:PRO147 3.8 23.8 1.0
CB A:PRO147 3.8 28.6 1.0
CA A:GLY146 3.8 18.6 1.0
CB A:THR261 3.9 16.6 0.6
C A:GLY146 4.0 22.3 1.0
O A:HOH606 4.0 30.2 0.5
CD1 A:TRP263 4.2 16.3 1.0
CE2 A:TRP263 4.3 16.8 1.0
CB A:THR261 4.3 15.0 0.4
O A:HOH516 4.4 27.8 0.5
OG1 A:THR261 4.4 16.2 0.6
O A:THR261 4.4 14.0 0.6
CZ2 A:TRP263 4.5 19.5 1.0
O A:THR261 4.6 14.1 0.4
CD A:PRO147 4.6 28.3 1.0
O A:HOH512 4.6 23.1 1.0
CG2 A:THR261 4.7 16.0 0.6
C A:PRO147 4.7 22.1 1.0
N A:THR261 4.8 14.7 0.6
N A:THR261 4.8 12.9 0.4
CG A:PRO147 4.8 29.4 1.0
CA A:THR261 4.8 14.7 0.6
O A:GLY146 4.8 22.8 1.0
N A:GLY146 4.8 16.0 1.0
OG1 A:THR261 4.9 15.9 0.4
CA A:THR261 5.0 13.8 0.4

Chlorine binding site 3 out of 3 in 5tpi

Go back to Chlorine Binding Sites List in 5tpi
Chlorine binding site 3 out of 3 in the 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:35.5
occ:0.40
CL A:CL302 0.0 35.5 0.4
CL A:CL302 1.2 23.9 0.6
NE1 A:TRP263 3.1 16.3 1.0
O A:HOH512 3.5 23.1 1.0
CB A:THR261 3.5 16.6 0.6
O A:HOH525 3.7 34.7 1.0
OG1 A:THR261 3.8 16.2 0.6
CB A:THR261 3.8 15.0 0.4
CE2 A:TRP263 3.9 16.8 1.0
CZ2 A:TRP263 4.0 19.5 1.0
CG2 A:THR261 4.0 16.0 0.6
CD1 A:TRP263 4.2 16.3 1.0
OG1 A:THR261 4.3 15.9 0.4
CA A:PRO147 4.3 23.8 1.0
O A:HOH516 4.4 27.8 0.5
CG2 A:THR261 4.5 15.0 0.4
CB A:PRO147 4.6 28.6 1.0
CA A:THR261 4.7 14.7 0.6
CA A:GLY146 4.7 18.6 1.0
O A:THR261 4.7 14.0 0.6
O A:HOH606 4.8 30.2 0.5
CA A:THR261 4.8 13.8 0.4
N A:THR261 4.8 12.9 0.4
N A:THR261 4.8 14.7 0.6
O A:THR261 4.9 14.1 0.4
N A:PRO147 4.9 23.8 1.0

Reference:

G.Minasov, Z.Wawrzak, J.Sandoval, E.Evdokimova, S.Grimshaw, K.Kwon, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.47 Angstrom Crystal Structure of the C-Terminal Substrate Binding Domain of Lysr Family Transcriptional Regulator From Klebsiella Pneumoniae. To Be Published.
Page generated: Sat Dec 12 12:29:04 2020

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