Chlorine in PDB 1f48: Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase

The structure of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase, PDB code: 1f48 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)	26.37 / 2.30
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	73.523, 75.715, 222.714, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 26.3

The structure of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase also contains other interesting chemical elements:

Cadmium	(Cd)	6 atoms
Magnesium	(Mg)	2 atoms
Antimony	(Sb)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase (pdb code 1f48). 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, PDB code: 1f48:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl597 b:32.6 occ:1.00 SB A:SB594 2.6 40.0 1.0 SB A:SB595 2.8 36.5 1.0 N A:ALA112 3.4 32.6 1.0 O A:HOH862 3.4 43.9 1.0 N A:CYS113 3.4 28.8 1.0 CD2 A:HIS453 3.5 30.0 1.0 O A:HOH717 3.6 28.4 1.0 CA A:GLY111 3.6 25.0 1.0 NE2 A:HIS453 3.6 31.8 1.0 C A:GLY111 3.7 30.8 1.0 O A:HOH841 3.8 32.4 1.0 CL A:CL598 3.8 31.6 1.0 SG A:CYS172 3.8 33.1 1.0 SG A:CYS113 3.8 35.5 1.0 CB A:CYS113 3.9 29.4 1.0 CA A:ALA112 4.2 32.5 1.0 CA A:CYS113 4.3 30.2 1.0 C A:ALA112 4.3 29.4 1.0 O A:HOH806 4.4 53.8 1.0 CB A:ALA112 4.4 27.6 1.0 SG A:CYS422 4.4 39.6 1.0 O A:GLY111 4.7 30.2 1.0 CB A:CYS422 4.7 39.4 1.0 CG A:HIS453 4.7 34.3 1.0 N A:GLY111 4.7 34.4 1.0 CE1 A:HIS453 4.8 29.9 1.0 CB A:CYS172 4.8 37.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl598 b:31.6 occ:1.00 SB A:SB595 2.7 36.5 1.0 OG1 A:THR114 3.0 29.9 1.0 N A:GLY111 3.2 34.4 1.0 N A:THR114 3.2 27.5 1.0 CA A:GLY111 3.3 25.0 1.0 O A:GLN108 3.4 38.2 1.0 C A:GLY111 3.6 30.8 1.0 O A:GLY111 3.6 30.2 1.0 O A:HOH720 3.6 36.8 1.0 CB A:THR114 3.7 30.7 1.0 CB A:CYS113 3.8 29.4 1.0 CL A:CL597 3.8 32.6 1.0 NE2 A:HIS453 4.0 31.8 1.0 CA A:THR114 4.0 31.7 1.0 N A:CYS113 4.0 28.8 1.0 C A:CYS113 4.1 27.4 1.0 CA A:CYS113 4.2 30.2 1.0 CG A:PRO175 4.2 45.7 1.0 CE1 A:HIS453 4.3 29.9 1.0 CB A:CYS172 4.3 37.5 1.0 C A:GLN108 4.3 32.9 1.0 N A:SER110 4.4 33.3 1.0 N A:ALA112 4.4 32.6 1.0 C A:SER110 4.4 30.7 1.0 SG A:CYS172 4.5 33.1 1.0 C A:LEU109 4.6 33.5 1.0 CA A:LEU109 4.7 34.5 1.0 CA A:CYS172 4.7 38.1 1.0 CD A:PRO175 4.8 44.8 1.0 CD2 A:HIS453 4.8 30.0 1.0 C A:ALA112 4.9 29.4 1.0 N A:LEU109 4.9 33.5 1.0 CA A:SER110 5.0 34.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl599 b:54.7 occ:1.00 SB A:SB596 2.5 39.1 1.0 O A:HOH727 2.8 36.4 1.0 O A:HOH802 2.8 46.0 1.0 CD1 A:LEU152 3.2 25.9 1.0 CB A:CYS113 3.3 29.4 1.0 O A:HOH788 3.6 25.9 1.0 CD1 A:ILE117 3.6 27.4 1.0 CG1 A:ILE117 3.6 26.1 1.0 O A:CYS113 3.7 30.6 1.0 SG A:CYS113 3.7 35.5 1.0 NE2 A:HIS148 3.8 30.9 1.0 CA A:CYS113 3.9 30.2 1.0 C A:CYS113 4.0 27.4 1.0 O A:CYS172 4.2 38.6 1.0 CD2 A:HIS148 4.3 25.7 1.0 CG A:LEU152 4.7 34.1 1.0 OG A:SER420 4.9 42.4 1.0 CE1 A:HIS148 4.9 26.7 1.0 CB A:CYS172 4.9 37.5 1.0 N A:THR114 5.0 27.5 1.0

T.Zhou, S.Radaev, B.P.Rosen, D.L.Gatti. Structure of the Arsa Atpase: the Catalytic Subunit of A Heavy Metal Resistance Pump. Embo J. V. 19 4838 2000.
ISSN: ISSN 0261-4189
PubMed: 10970874
DOI: 10.1093/EMBOJ/19.17.4838