Arsenic in PDB 1ii9: 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;

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

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
Chlorine	(Cl)	7 atoms

The binding sites of Arsenic 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 Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of the Escherichia Coli Arsenite-Translocating Atpase in Complex with Amp-Pnp, PDB code: 1ii9:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 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 Arsenic with other atoms in the As 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:As701 b:90.8 occ:0.50 AS A:TAS701 0.0 90.8 0.5 O1 A:TAS701 1.7 81.9 0.5 O2 A:TAS701 1.8 80.8 0.5 O3 A:TAS701 1.8 83.7 0.5 NH2 A:ARG206 3.2 64.6 1.0 NH2 A:ARG543 3.4 37.6 1.0 O4' A:ADP590 3.5 45.7 1.0 OE1 A:GLU500 3.7 59.0 1.0 N9 A:ADP590 3.9 54.4 1.0 C1' A:ADP590 4.0 46.8 1.0 C4 A:ADP590 4.0 54.7 1.0 N3 A:ADP590 4.0 57.3 1.0 NH1 A:ARG206 4.1 63.5 1.0 CZ A:ARG206 4.1 63.3 1.0 CZ A:ARG543 4.3 42.8 1.0 CD A:GLU500 4.5 54.8 1.0 C4' A:ADP590 4.5 44.1 1.0 O A:HOH2024 4.5 27.1 1.0 C8 A:ADP590 4.5 55.9 1.0 C5' A:ADP590 4.6 42.5 1.0 C2 A:ADP590 4.6 59.9 1.0 C5 A:ADP590 4.6 52.6 1.0 OD1 A:ASN281 4.7 44.0 1.0 O A:GLY18 4.9 46.7 1.0 NE A:ARG543 5.0 48.3 1.0 CG A:GLU500 5.0 45.7 1.0 N7 A:ADP590 5.0 51.7 1.0

Arsenic binding site 2 out of 2 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 Arsenic with other atoms in the As 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 B:As1701 b:85.1 occ:0.50 AS B:TAS1701 0.0 85.1 0.5 O1 B:TAS1701 1.8 74.1 0.5 O3 B:TAS1701 1.8 72.7 0.5 O2 B:TAS1701 1.8 74.8 0.5 NH2 B:ARG1543 3.5 46.6 1.0 NH2 B:ARG1206 3.6 45.8 1.0 O4' B:ADP1590 3.9 45.9 1.0 NH1 B:ARG1206 3.9 55.7 1.0 N3 B:ADP1590 4.1 51.8 1.0 C4 B:ADP1590 4.2 52.9 1.0 CZ B:ARG1206 4.3 49.9 1.0 N9 B:ADP1590 4.3 49.0 1.0 C1' B:ADP1590 4.3 45.8 1.0 CZ B:ARG1543 4.4 47.4 1.0 O B:HOH2064 4.4 40.9 1.0 OE1 B:GLU1500 4.5 50.2 1.0 C2 B:ADP1590 4.5 49.3 1.0 CD B:GLU1500 4.6 46.7 1.0 NE B:ARG1543 4.7 49.4 1.0 C5 B:ADP1590 4.7 50.4 1.0 OD1 B:ASN1281 4.9 43.2 1.0 CD1 B:LEU1277 4.9 48.5 1.0 OE2 B:GLU1500 5.0 46.3 1.0 C4' B:ADP1590 5.0 43.4 1.0 C8 B:ADP1590 5.0 49.6 1.0

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