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Chlorine in PDB 1ihu: Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3

Enzymatic activity of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3

All present enzymatic activity of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3:
3.6.3.16;

Protein crystallography data

The structure of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3, PDB code: 1ihu was solved by T.Zhou, S.Radaev, B.P.Rosen, D.L.Gatti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.15 / 2.15
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 73.897, 75.945, 222.607, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 26.2

Other elements in 1ihu:

The structure of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3 also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Magnesium (Mg) 2 atoms
Aluminium (Al) 1 atom
Cadmium (Cd) 8 atoms
Arsenic (As) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3 (pdb code 1ihu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3, PDB code: 1ihu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1ihu

Go back to Chlorine Binding Sites List in 1ihu
Chlorine binding site 1 out of 3 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3


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 the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl597

b:27.5
occ:1.00
 CD A:CD594 2.6 32.1 1.0
CD A:CD595 2.7 28.9 1.0
N A:ALA112 3.3 22.5 1.0
O A:HOH740 3.4 33.2 1.0
CD2 A:HIS453 3.4 22.2 1.0
N A:CYS113 3.4 25.5 1.0
CA A:GLY111 3.5 19.3 1.0
NE2 A:HIS453 3.5 26.9 1.0
CL A:CL598 3.6 27.9 1.0
SG A:CYS172 3.7 27.4 1.0
C A:GLY111 3.7 23.9 1.0
O A:HOH715 3.7 23.2 1.0
O A:HOH703 3.8 25.1 1.0
CB A:CYS113 3.9 24.6 1.0
SG A:CYS113 4.0 30.8 1.0
O A:HOH767 4.0 33.1 1.0
CA A:ALA112 4.2 24.0 1.0
CA A:CYS113 4.3 28.6 1.0
C A:ALA112 4.3 19.9 1.0
SG A:CYS422 4.5 30.7 1.0
CB A:ALA112 4.5 18.2 1.0
N A:GLY111 4.6 24.6 1.0
CB A:CYS422 4.6 34.8 1.0
O A:GLY111 4.6 18.6 1.0
CG A:HIS453 4.6 27.2 1.0
CE1 A:HIS453 4.7 17.7 1.0
O A:HOH762 4.8 50.1 1.0
CB A:CYS172 4.8 25.6 1.0
OG1 A:THR454 5.0 31.1 1.0

Chlorine binding site 2 out of 3 in 1ihu

Go back to Chlorine Binding Sites List in 1ihu
Chlorine binding site 2 out of 3 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3


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 the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl598

b:27.9
occ:1.00
 CD A:CD595 2.5 28.9 1.0
N A:GLY111 3.2 24.6 1.0
OG1 A:THR114 3.2 22.2 1.0
O A:HOH883 3.3 28.1 1.0
CA A:GLY111 3.3 19.3 1.0
N A:THR114 3.3 23.7 1.0
O A:GLN108 3.5 29.3 1.0
C A:GLY111 3.6 23.9 1.0
CL A:CL597 3.6 27.5 1.0
O A:GLY111 3.7 18.6 1.0
CB A:CYS113 3.7 24.6 1.0
NE2 A:HIS453 3.8 26.9 1.0
CB A:THR114 3.9 22.5 1.0
N A:CYS113 4.0 25.5 1.0
CE1 A:HIS453 4.1 17.7 1.0
CA A:CYS113 4.1 28.6 1.0
C A:CYS113 4.1 27.5 1.0
CA A:THR114 4.2 22.6 1.0
SG A:CYS172 4.2 27.4 1.0
CB A:CYS172 4.2 25.6 1.0
CG A:PRO175 4.3 48.5 1.0
N A:SER110 4.4 26.9 1.0
C A:SER110 4.4 25.3 1.0
C A:GLN108 4.4 29.1 1.0
N A:ALA112 4.5 22.5 1.0
CA A:CYS172 4.7 28.6 1.0
CD2 A:HIS453 4.7 22.2 1.0
C A:LEU109 4.7 26.2 1.0
CA A:LEU109 4.7 26.4 1.0
CD A:PRO175 4.8 43.6 1.0
O A:CYS172 4.9 30.6 1.0
C A:ALA112 4.9 19.9 1.0
CD A:CD594 5.0 32.1 1.0
N A:LEU109 5.0 26.0 1.0

Chlorine binding site 3 out of 3 in 1ihu

Go back to Chlorine Binding Sites List in 1ihu
Chlorine binding site 3 out of 3 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3


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 the Escherichia Coli Arsenite-Translocating Atpase in Complex with Mg-Adp-ALF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl599

b:61.4
occ:1.00
 CD A:CD596 2.4 30.8 1.0
O A:HOH712 2.6 28.6 1.0
O A:HOH713 2.9 29.0 1.0
O A:HOH881 3.0 22.2 1.0
CB A:CYS113 3.1 24.6 1.0
CD1 A:LEU152 3.3 26.2 1.0
SG A:CYS113 3.5 30.8 1.0
O A:CYS113 3.7 31.4 1.0
CA A:CYS113 3.8 28.6 1.0
CG1 A:ILE117 3.8 24.0 1.0
NE2 A:HIS148 3.9 28.4 1.0
C A:CYS113 4.0 27.5 1.0
CD1 A:ILE117 4.0 31.5 1.0
O A:CYS172 4.1 30.6 1.0
CD2 A:HIS148 4.4 23.7 1.0
OG A:SER420 4.7 36.5 1.0
CB A:CYS172 4.7 25.6 1.0
CG A:LEU152 4.9 31.3 1.0
CE1 A:HIS148 4.9 28.2 1.0
N A:THR114 4.9 23.7 1.0

Reference:

T.Zhou, S.Radaev, B.P.Rosen, D.L.Gatti. Conformational Changes in Four Regions of the Escherichia Coli Arsa Atpase Link Atp Hydrolysis to Ion Translocation. J.Biol.Chem. V. 276 30414 2001.
ISSN: ISSN 0021-9258
PubMed: 11395509
DOI: 10.1074/JBC.M103671200
Page generated: Fri Jul 19 22:45:09 2024

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