Atomistry » Chlorine » PDB 1i3l-1iqi » 1ii9
Atomistry »
  Chlorine »
    PDB 1i3l-1iqi »
      1ii9 »

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

Go back to Chlorine Binding Sites List in 1ii9
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

Go back to Chlorine Binding Sites List in 1ii9
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

Go back to Chlorine Binding Sites List in 1ii9
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

Go back to Chlorine Binding Sites List in 1ii9
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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy