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Chlorine in PDB 1ii0: Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase

Enzymatic activity of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase

All present enzymatic activity of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase:
3.6.3.16;

Protein crystallography data

The structure of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase, PDB code: 1ii0 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) 28.61 / 2.40
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.727, 222.189, 74.126, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 25.2

Other elements in 1ii0:

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

Cadmium (Cd) 17 atoms
Magnesium (Mg) 4 atoms
Arsenic (As) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase (pdb code 1ii0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase, PDB code: 1ii0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 1ii0

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Chlorine binding site 1 out of 7 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:26.2
occ:1.00
 CD A:CD594 2.6 33.0 1.0
CD A:CD595 2.6 27.5 1.0
SG A:CYS172 3.3 34.8 1.0
N A:ALA112 3.4 25.0 1.0
CL A:CL598 3.5 30.1 1.0
N A:CYS113 3.5 25.1 1.0
CD2 A:HIS453 3.6 27.6 1.0
CA A:GLY111 3.6 24.6 1.0
NE2 A:HIS453 3.7 26.8 1.0
O A:HOH2092 3.7 27.1 1.0
C A:GLY111 3.7 24.6 1.0
SG A:CYS113 3.8 31.3 1.0
CB A:CYS113 3.9 26.4 1.0
O A:HOH2005 3.9 23.9 1.0
CA A:ALA112 4.3 25.4 1.0
CA A:CYS113 4.3 26.3 1.0
C A:ALA112 4.4 25.3 1.0
SG A:CYS422 4.4 28.1 1.0
O A:HOH2200 4.4 38.1 1.0
CB A:ALA112 4.5 24.6 1.0
O A:GLY111 4.7 23.9 1.0
CB A:CYS422 4.7 28.6 1.0
CB A:CYS172 4.7 42.0 1.0
CG A:HIS453 4.7 27.4 1.0
N A:GLY111 4.7 25.4 1.0
CE1 A:HIS453 4.9 27.1 1.0

Chlorine binding site 2 out of 7 in 1ii0

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Chlorine binding site 2 out of 7 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:30.1
occ:1.00
 CD A:CD595 2.5 27.5 1.0
N A:GLY111 3.2 25.4 1.0
OG1 A:THR114 3.2 23.3 1.0
O A:HOH2026 3.2 22.1 1.0
CA A:GLY111 3.2 24.6 1.0
N A:THR114 3.5 24.7 1.0
CL A:CL597 3.5 26.2 1.0
O A:GLN108 3.6 28.8 1.0
C A:GLY111 3.6 24.6 1.0
NE2 A:HIS453 3.7 26.8 1.0
O A:GLY111 3.8 23.9 1.0
CB A:CYS113 3.9 26.4 1.0
CB A:THR114 4.0 23.4 1.0
N A:CYS113 4.0 25.1 1.0
CE1 A:HIS453 4.1 27.1 1.0
SG A:CYS172 4.2 34.8 1.0
CA A:CYS113 4.3 26.3 1.0
CA A:THR114 4.3 23.8 1.0
C A:CYS113 4.3 26.2 1.0
N A:SER110 4.4 25.7 1.0
N A:ALA112 4.4 25.0 1.0
C A:GLN108 4.4 28.5 1.0
C A:SER110 4.5 25.6 1.0
CG A:PRO175 4.5 40.4 1.0
CD2 A:HIS453 4.5 27.6 1.0
CB A:CYS172 4.6 42.0 1.0
C A:LEU109 4.7 25.8 1.0
CA A:LEU109 4.7 26.6 1.0
CA A:CYS172 4.7 43.2 1.0
CD A:PRO175 4.9 40.4 1.0
N A:LEU109 4.9 27.6 1.0
O A:CYS172 5.0 41.1 1.0

Chlorine binding site 3 out of 7 in 1ii0

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Chlorine binding site 3 out of 7 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:Cl4000

b:22.7
occ:1.00
 CD A:CD600 2.6 22.4 1.0
O B:HOH2008 3.2 24.3 1.0
ND1 A:HIS587 3.2 20.1 1.0
OD1 A:ASP320 3.2 18.5 1.0
ND1 B:HIS1587 3.3 20.3 1.0
CE1 B:HIS1587 3.5 19.6 1.0
O A:HOH2054 3.6 29.8 1.0
CE1 B:HIS1585 3.6 24.1 1.0
NE2 B:HIS1585 3.6 24.2 1.0
CE1 A:HIS585 3.6 23.2 1.0
OD2 A:ASP320 3.6 21.9 1.0
CG A:ASP320 3.8 21.0 1.0
O A:HIS588 3.9 21.2 1.0
N A:HIS588 3.9 20.6 1.0
CE1 A:HIS587 4.0 20.1 1.0
CA A:HIS587 4.0 20.7 1.0
CG A:HIS587 4.2 20.4 1.0
ND1 A:HIS585 4.3 24.0 1.0
CB A:HIS587 4.4 20.1 1.0
C A:HIS587 4.4 21.0 1.0
CG B:HIS1587 4.6 21.4 1.0
NE2 B:HIS1587 4.7 20.4 1.0
NE2 A:HIS585 4.7 23.3 1.0
NE2 A:HIS588 4.8 22.3 1.0
C A:HIS588 4.8 20.9 1.0
CE1 A:HIS588 4.8 22.8 1.0
O A:HOH3026 4.8 15.4 1.0
ND1 A:HIS588 4.8 22.0 1.0
CD2 A:HIS588 4.8 21.6 1.0
ND1 B:HIS1585 4.9 24.3 1.0
O A:HOH2034 4.9 20.8 1.0
CG A:HIS588 4.9 21.9 1.0
CD2 B:HIS1585 4.9 23.8 1.0
CA A:HIS588 4.9 20.7 1.0
O A:HIS586 4.9 20.8 1.0

Chlorine binding site 4 out of 7 in 1ii0

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Chlorine binding site 4 out of 7 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 4 of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1597

b:32.0
occ:1.00
 CD B:CD1594 2.4 28.8 1.0
CD B:CD1595 2.7 24.5 1.0
O B:HOH2004 3.2 28.8 1.0
SG B:CYS1172 3.5 43.9 1.0
O B:HOH2084 3.6 29.8 1.0
N B:CYS1113 3.6 25.7 1.0
O B:HOH2023 3.6 30.5 1.0
N B:ALA1112 3.6 25.6 1.0
CD2 B:HIS1453 3.6 22.5 1.0
NE2 B:HIS1453 3.6 22.3 1.0
CL B:CL1598 3.7 24.1 1.0
SG B:CYS1113 3.7 26.9 1.0
CB B:CYS1113 3.8 25.2 1.0
CA B:GLY1111 3.9 25.9 1.0
C B:GLY1111 4.0 25.4 1.0
SG B:CYS1422 4.0 28.9 1.0
O B:HOH3010 4.2 32.5 1.0
CA B:CYS1113 4.4 25.5 1.0
CB B:CYS1422 4.4 29.4 1.0
CA B:ALA1112 4.4 25.9 1.0
CB B:ALA1112 4.5 25.6 1.0
C B:ALA1112 4.5 25.8 1.0
O B:HOH3009 4.7 28.2 1.0
CB B:CYS1172 4.7 48.6 1.0
CE1 B:HIS1453 4.9 22.0 1.0
CG B:HIS1453 4.9 23.1 1.0
O B:GLY1111 4.9 24.9 1.0
OG1 B:THR1454 5.0 27.5 1.0
O B:HOH2003 5.0 19.4 1.0

Chlorine binding site 5 out of 7 in 1ii0

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Chlorine binding site 5 out of 7 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 5 of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1598

b:24.1
occ:1.00
 CD B:CD1595 2.4 24.5 1.0
O B:HOH2003 3.1 19.4 1.0
OG1 B:THR1114 3.2 26.0 1.0
CA B:GLY1111 3.3 25.9 1.0
N B:GLY1111 3.3 26.6 1.0
N B:THR1114 3.5 25.8 1.0
O B:GLN1108 3.6 31.4 1.0
C B:GLY1111 3.7 25.4 1.0
CL B:CL1597 3.7 32.0 1.0
NE2 B:HIS1453 3.7 22.3 1.0
CB B:CYS1113 3.7 25.2 1.0
O B:GLY1111 3.8 24.9 1.0
CB B:THR1114 4.0 25.6 1.0
CE1 B:HIS1453 4.1 22.0 1.0
N B:CYS1113 4.1 25.7 1.0
SG B:CYS1172 4.1 43.9 1.0
CA B:CYS1113 4.2 25.5 1.0
C B:CYS1113 4.3 25.8 1.0
CB B:CYS1172 4.3 48.6 1.0
CA B:THR1114 4.3 26.1 1.0
N B:ALA1112 4.4 25.6 1.0
C B:GLN1108 4.5 31.6 1.0
CG B:PRO1175 4.5 49.2 1.0
N B:SER1110 4.5 28.6 1.0
CD2 B:HIS1453 4.6 22.5 1.0
C B:SER1110 4.6 27.3 1.0
CA B:CYS1172 4.6 50.0 1.0
CA B:LEU1109 4.8 29.4 1.0
CD B:PRO1175 4.9 48.8 1.0
C B:LEU1109 4.9 29.1 1.0
CD B:CD1594 4.9 28.8 1.0
O B:CYS1172 5.0 48.5 1.0

Chlorine binding site 6 out of 7 in 1ii0

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Chlorine binding site 6 out of 7 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 6 of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1599

b:63.6
occ:0.50
 O B:HOH2333 2.5 56.6 1.0
O B:CYS1113 2.9 25.5 1.0
CB B:CYS1113 3.2 25.2 1.0
CA B:CYS1113 3.2 25.5 1.0
CD B:CD1596 3.2 30.9 1.0
C B:CYS1113 3.4 25.8 1.0
SG B:CYS1113 3.5 26.9 1.0
CG1 B:ILE1117 3.6 25.5 1.0
CB B:GLU1116 4.0 28.6 1.0
CD1 B:ILE1117 4.0 26.3 1.0
OG1 B:THR1149 4.0 29.2 1.0
CD1 B:LEU1152 4.2 31.5 1.0
NE2 B:HIS1148 4.3 26.5 1.0
CD2 B:HIS1148 4.3 26.3 1.0
N B:ILE1117 4.4 26.3 1.0
N B:CYS1113 4.6 25.7 1.0
N B:THR1114 4.6 25.8 1.0
CG B:GLU1116 4.7 30.7 1.0
CB B:ILE1117 4.8 26.2 1.0
CA B:GLU1116 4.9 27.4 1.0
CB B:THR1149 5.0 28.1 1.0
C B:GLU1116 5.0 26.7 1.0
CA B:ILE1117 5.0 25.9 1.0

Chlorine binding site 7 out of 7 in 1ii0

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Chlorine binding site 7 out of 7 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 7 of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl4001

b:50.2
occ:0.50
 O B:HOH2195 2.5 46.6 1.0
O B:HOH3029 2.5 41.3 1.0
OE1 B:GLU1515 3.1 33.0 1.0
CD B:CD1608 3.3 90.9 0.5
O B:HOH3028 3.7 50.5 1.0
CD B:GLU1515 4.1 31.9 1.0
OE2 B:GLU1515 4.3 33.2 1.0
NE2 B:GLN1511 4.8 24.1 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 22:45:15 2024

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