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Chlorine in PDB 1ii9: Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Amp-Pnp

Enzymatic activity of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Amp-Pnp

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

Protein crystallography data

The structure of Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Amp-Pnp, PDB code: 1ii9 was solved by T.Zhou, S.Radaev, D.L.Gatti, B.P.Rosen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.52 / 2.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.623, 222.527, 74.047, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 26.5

Other elements in 1ii9:

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

Cadmium (Cd) 18 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 in Complex with Amp-Pnp (pdb code 1ii9). 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 in Complex with Amp-Pnp, PDB code: 1ii9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 1ii9

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Chlorine binding site 1 out of 7 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Amp-Pnp


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 Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl597

b:28.6
occ:1.00
 CD A:CD594 2.5 40.5 1.0
CD A:CD595 2.7 34.0 1.0
N A:ALA112 3.4 24.6 1.0
CL A:CL598 3.4 35.7 1.0
N A:CYS113 3.5 26.9 1.0
SG A:CYS172 3.6 33.9 1.0
CD2 A:HIS453 3.6 32.0 1.0
CA A:GLY111 3.6 20.8 1.0
NE2 A:HIS453 3.7 28.6 1.0
C A:GLY111 3.7 22.6 1.0
SG A:CYS113 3.8 43.4 1.0
O A:HOH2119 3.8 25.1 1.0
CB A:CYS113 3.9 29.9 1.0
CA A:ALA112 4.2 28.0 1.0
CB A:ALA112 4.3 22.5 1.0
CA A:CYS113 4.3 31.7 1.0
C A:ALA112 4.3 28.0 1.0
SG A:CYS422 4.5 40.8 1.0
O A:GLY111 4.6 22.0 1.0
CB A:CYS172 4.7 41.2 1.0
N A:GLY111 4.8 29.0 1.0
CG A:HIS453 4.8 33.7 1.0
CE1 A:HIS453 4.8 26.9 1.0
CB A:CYS422 4.9 43.9 1.0
O A:HOH3024 4.9 34.6 1.0

Chlorine binding site 2 out of 7 in 1ii9

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Chlorine binding site 2 out of 7 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Amp-Pnp


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 Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl598

b:35.7
occ:1.00
 CD A:CD595 2.4 34.0 1.0
O A:HOH3024 3.2 34.6 1.0
CA A:GLY111 3.3 20.8 1.0
N A:GLY111 3.3 29.0 1.0
CL A:CL597 3.4 28.6 1.0
OG1 A:THR114 3.5 24.3 1.0
C A:GLY111 3.6 22.6 1.0
N A:THR114 3.6 28.3 1.0
O A:GLY111 3.7 22.0 1.0
O A:GLN108 3.7 36.9 1.0
CB A:CYS113 3.8 29.9 1.0
NE2 A:HIS453 3.8 28.6 1.0
N A:CYS113 4.0 26.9 1.0
CE1 A:HIS453 4.2 26.9 1.0
CB A:THR114 4.2 19.5 1.0
CA A:CYS113 4.2 31.7 1.0
CB A:CYS172 4.3 41.2 1.0
SG A:CYS172 4.3 33.9 1.0
C A:CYS113 4.4 34.4 1.0
N A:ALA112 4.4 24.6 1.0
CA A:THR114 4.5 19.6 1.0
N A:SER110 4.5 32.3 1.0
C A:GLN108 4.5 31.6 1.0
C A:SER110 4.6 33.2 1.0
CG A:PRO175 4.6 44.6 1.0
CD2 A:HIS453 4.6 32.0 1.0
CA A:LEU109 4.7 30.4 1.0
CA A:CYS172 4.8 43.0 1.0
C A:LEU109 4.8 32.8 1.0
CD A:CD594 4.9 40.5 1.0
C A:ALA112 4.9 28.0 1.0
SG A:CYS113 5.0 43.4 1.0

Chlorine binding site 3 out of 7 in 1ii9

Go back to Chlorine Binding Sites List in 1ii9
Chlorine binding site 3 out of 7 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Amp-Pnp


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 Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl599

b:69.0
occ:1.00
 CD A:CD596 2.3 34.5 1.0
O A:HOH3005 2.9 41.3 1.0
O A:HOH3023 2.9 23.9 1.0
CB A:CYS113 3.2 29.9 1.0
CD1 A:LEU152 3.3 36.2 1.0
NE2 A:HIS148 3.3 26.8 1.0
SG A:CYS113 3.5 43.4 1.0
CD2 A:HIS148 3.8 30.1 1.0
CA A:CYS113 3.9 31.7 1.0
O A:CYS113 3.9 38.5 1.0
CD1 A:ILE117 4.0 26.2 1.0
CG1 A:ILE117 4.1 23.9 1.0
C A:CYS113 4.2 34.4 1.0
CE1 A:HIS148 4.4 27.9 1.0
OG A:SER420 4.6 30.5 1.0
O A:CYS172 4.6 43.5 1.0
CG A:LEU152 4.8 42.1 1.0
CG A:HIS148 5.0 28.8 1.0

Chlorine binding site 4 out of 7 in 1ii9

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Chlorine binding site 4 out of 7 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Amp-Pnp


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 in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2000

b:27.4
occ:1.00
 CD A:CD600 2.6 29.9 1.0
ND1 A:HIS587 3.2 24.8 1.0
ND1 B:HIS1587 3.3 25.3 1.0
O B:HOH2013 3.4 22.8 1.0
CE1 B:HIS1585 3.4 37.1 1.0
OD1 A:ASP320 3.4 26.2 1.0
CE1 B:HIS1587 3.4 20.5 1.0
OD2 A:ASP320 3.5 38.3 1.0
O A:HOH2058 3.5 24.0 1.0
NE2 B:HIS1585 3.6 36.1 1.0
CE1 A:HIS585 3.6 24.8 1.0
CG A:ASP320 3.8 32.1 1.0
O A:HIS588 3.9 29.6 1.0
N A:HIS588 3.9 26.9 1.0
CA A:HIS587 3.9 27.0 1.0
CE1 A:HIS587 4.1 23.6 1.0
CG A:HIS587 4.1 26.4 1.0
CB A:HIS587 4.2 20.2 1.0
ND1 A:HIS585 4.2 26.4 1.0
C A:HIS587 4.5 30.2 1.0
CG B:HIS1587 4.6 24.1 1.0
ND1 B:HIS1585 4.6 35.5 1.0
NE2 B:HIS1587 4.7 24.7 1.0
NE2 A:HIS585 4.7 27.2 1.0
C A:HIS588 4.8 30.1 1.0
CD2 B:HIS1585 4.9 32.4 1.0
CE1 A:HIS588 4.9 33.8 1.0
O A:HOH2060 4.9 18.7 1.0
NE2 A:HIS588 4.9 31.8 1.0
ND1 A:HIS588 4.9 26.9 1.0
CA A:HIS588 4.9 26.2 1.0

Chlorine binding site 5 out of 7 in 1ii9

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Chlorine binding site 5 out of 7 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Amp-Pnp


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 in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1597

b:28.7
occ:1.00
 CD B:CD1594 2.5 35.7 1.0
CD B:CD1595 2.7 30.4 1.0
N B:CYS1113 3.5 24.0 1.0
CD2 B:HIS1453 3.5 26.5 1.0
SG B:CYS1113 3.6 30.9 1.0
O B:HOH2145 3.6 29.6 1.0
NE2 B:HIS1453 3.6 29.3 1.0
N B:ALA1112 3.7 28.8 1.0
SG B:CYS1172 3.7 41.6 1.0
CL B:CL1598 3.7 33.0 1.0
CB B:CYS1113 3.8 23.1 1.0
CA B:GLY1111 3.8 24.9 1.0
C B:GLY1111 3.9 24.5 1.0
SG B:CYS1422 4.1 34.3 1.0
CA B:CYS1113 4.3 26.5 1.0
CA B:ALA1112 4.4 25.7 1.0
C B:ALA1112 4.5 24.6 1.0
CB B:CYS1422 4.5 37.1 1.0
CB B:ALA1112 4.6 22.6 1.0
CB B:CYS1172 4.7 46.1 1.0
O B:GLY1111 4.8 29.9 1.0
CG B:HIS1453 4.8 31.8 1.0
CE1 B:HIS1453 4.9 27.2 1.0
N B:GLY1111 4.9 29.7 1.0
O B:HOH2094 5.0 28.3 1.0

Chlorine binding site 6 out of 7 in 1ii9

Go back to Chlorine Binding Sites List in 1ii9
Chlorine binding site 6 out of 7 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Amp-Pnp


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 in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1598

b:33.0
occ:1.00
 CD B:CD1595 2.4 30.4 1.0
O B:HOH2094 3.1 28.3 1.0
N B:GLY1111 3.3 29.7 1.0
O B:GLN1108 3.4 35.1 1.0
OG1 B:THR1114 3.4 28.8 1.0
CA B:GLY1111 3.5 24.9 1.0
NE2 B:HIS1453 3.6 29.3 1.0
N B:THR1114 3.6 28.4 1.0
CL B:CL1597 3.7 28.7 1.0
C B:GLY1111 3.9 24.5 1.0
CB B:CYS1113 3.9 23.1 1.0
O B:GLY1111 3.9 29.9 1.0
CE1 B:HIS1453 4.0 27.2 1.0
CB B:THR1114 4.0 31.4 1.0
CB B:CYS1172 4.2 46.1 1.0
N B:CYS1113 4.3 24.0 1.0
SG B:CYS1172 4.3 41.6 1.0
C B:GLN1108 4.3 32.4 1.0
N B:SER1110 4.3 29.3 1.0
CA B:THR1114 4.4 30.2 1.0
CA B:CYS1113 4.4 26.5 1.0
C B:CYS1113 4.4 27.8 1.0
CD2 B:HIS1453 4.5 26.5 1.0
CG B:PRO1175 4.5 57.1 1.0
C B:SER1110 4.5 25.9 1.0
CA B:CYS1172 4.6 47.1 1.0
N B:ALA1112 4.7 28.8 1.0
CA B:LEU1109 4.7 31.2 1.0
C B:LEU1109 4.8 30.9 1.0
CD B:PRO1175 4.9 56.1 1.0
N B:LEU1109 4.9 32.1 1.0
ND1 B:HIS1453 5.0 32.2 1.0

Chlorine binding site 7 out of 7 in 1ii9

Go back to Chlorine Binding Sites List in 1ii9
Chlorine binding site 7 out of 7 in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Amp-Pnp


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 in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1599

b:75.7
occ:1.00
 CD B:CD1596 2.5 36.2 1.0
O B:HOH3025 2.8 16.8 1.0
O B:HOH3008 3.0 44.5 1.0
CD1 B:LEU1152 3.2 39.3 1.0
CB B:CYS1113 3.5 23.1 1.0
O B:CYS1172 3.7 44.7 1.0
SG B:CYS1113 3.8 30.9 1.0
NE2 B:HIS1148 3.8 19.8 1.0
CG1 B:ILE1117 4.0 21.3 1.0
O B:CYS1113 4.2 31.0 1.0
CD1 B:ILE1117 4.2 14.5 1.0
CA B:CYS1113 4.2 26.5 1.0
C B:CYS1113 4.4 27.8 1.0
CD2 B:HIS1148 4.5 21.7 1.0
CB B:CYS1172 4.6 46.1 1.0
CE1 B:HIS1148 4.7 25.1 1.0
CG B:LEU1152 4.7 38.8 1.0
C B:CYS1172 4.8 44.1 1.0
OG B:SER1420 4.8 35.9 1.0
OD1 B:ASP1417 5.0 41.3 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 22:45:28 2024

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