Arsenic in PDB 4wy0: Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia.

The structure of Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia., PDB code: 4wy0 was solved by J.L.Smith, A.M.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	94.680, 107.198, 178.215, 90.00, 92.24, 90.00
R / Rfree (%)	19.1 / 22.2

The binding sites of Arsenic atom in the Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia. (pdb code 4wy0). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 5 binding sites of Arsenic where determined in the Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia., PDB code: 4wy0:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5;

Arsenic binding site 1 out of 5 in the Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia. within 5.0Å range: probe atom residue distance (Å) B Occ A:As301 b:88.8 occ:1.00 AS A:CAC301 0.0 88.8 1.0 O2 A:CAC301 1.7 79.1 1.0 O1 A:CAC301 1.7 88.4 1.0 C2 A:CAC301 2.0 87.9 1.0 C1 A:CAC301 2.0 86.5 1.0 O A:HOH483 3.9 52.9 1.0 NH2 A:ARG137 4.0 37.8 1.0 NH1 A:ARG138 4.1 34.5 1.0 NZ G:LYS187 4.1 54.9 1.0 NE A:ARG137 4.2 35.5 1.0 O A:HOH499 4.3 62.2 1.0 NH2 A:ARG138 4.3 33.8 1.0 NE2 A:HIS115 4.5 40.2 1.0 CZ A:ARG137 4.6 37.5 1.0 CZ A:ARG138 4.7 35.4 1.0 O A:HOH462 4.7 49.5 1.0 CG A:GLU134 4.9 46.3 1.0

Arsenic binding site 2 out of 5 in the Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia. within 5.0Å range: probe atom residue distance (Å) B Occ C:As301 b:81.1 occ:1.00 AS C:CAC301 0.0 81.1 1.0 O2 C:CAC301 1.7 91.2 1.0 O1 C:CAC301 1.7 85.7 1.0 C2 C:CAC301 1.9 80.7 1.0 C1 C:CAC301 2.0 82.5 1.0 O C:HOH496 3.5 49.7 1.0 O C:HOH476 3.8 66.5 1.0 NE C:ARG137 3.9 34.0 1.0 NH2 C:ARG137 4.0 34.8 1.0 NZ H:LYS187 4.0 52.9 1.0 NH2 C:ARG138 4.0 39.3 1.0 NH1 C:ARG138 4.1 40.9 1.0 CZ C:ARG137 4.4 35.1 1.0 NE2 C:HIS115 4.5 44.9 1.0 CZ C:ARG138 4.5 40.4 1.0 O C:HOH492 4.6 60.0 1.0 CD H:LYS187 4.9 46.0 1.0 CD2 C:HIS115 4.9 42.6 1.0 CD C:ARG137 5.0 35.2 1.0 CE H:LYS187 5.0 48.3 1.0

Arsenic binding site 3 out of 5 in the Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia. within 5.0Å range: probe atom residue distance (Å) B Occ F:As302 b:79.3 occ:1.00 AS F:CAC302 0.0 79.3 1.0 O1 F:CAC302 1.7 67.2 1.0 O2 F:CAC302 1.7 80.2 1.0 C1 F:CAC302 2.0 77.2 1.0 C2 F:CAC302 2.0 79.0 1.0 NH1 F:ARG138 3.8 41.2 1.0 NH2 F:ARG137 3.9 34.6 1.0 NE F:ARG137 4.0 37.3 1.0 NH2 F:ARG138 4.1 39.8 1.0 NZ K:LYS187 4.3 63.1 1.0 NE2 F:HIS115 4.3 49.1 1.0 CZ F:ARG137 4.4 36.6 1.0 CZ F:ARG138 4.4 39.9 1.0 O F:HOH456 4.6 52.7 1.0 CG F:GLU134 4.7 47.0 1.0 CD2 F:HIS115 4.9 48.0 1.0

Arsenic binding site 4 out of 5 in the Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia. within 5.0Å range: probe atom residue distance (Å) B Occ H:As302 b:86.3 occ:1.00 AS H:CAC302 0.0 86.3 1.0 O2 H:CAC302 1.7 89.4 1.0 O1 H:CAC302 1.7 85.6 1.0 C2 H:CAC302 1.9 79.8 1.0 C1 H:CAC302 2.0 80.5 1.0 NH2 H:ARG137 4.0 35.8 1.0 NH1 H:ARG138 4.0 42.1 1.0 NZ C:LYS187 4.2 62.8 1.0 NE H:ARG137 4.2 32.8 1.0 O C:HOH465 4.2 52.6 1.0 NH2 H:ARG138 4.3 45.9 1.0 NE2 H:HIS115 4.4 45.0 1.0 CZ H:ARG137 4.6 36.4 1.0 CZ H:ARG138 4.6 43.7 1.0 O H:HOH432 4.6 47.6 1.0 CG H:GLU134 4.7 45.4 1.0

Arsenic binding site 5 out of 5 in the Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Pdxs (G. Stearothermophilus) Co-Crystallized with R5P in the Presence of Ammonia. within 5.0Å range: probe atom residue distance (Å) B Occ L:As301 b:80.3 occ:1.00 AS L:CAC301 0.0 80.3 1.0 O1 L:CAC301 1.7 76.8 1.0 O2 L:CAC301 1.7 82.4 1.0 C1 L:CAC301 2.0 75.7 1.0 C2 L:CAC301 2.0 81.3 1.0 NH2 L:ARG137 3.9 38.7 1.0 NH1 L:ARG138 4.0 42.6 1.0 NE L:ARG137 4.0 37.1 1.0 NH2 L:ARG138 4.1 43.4 1.0 NZ D:LYS187 4.4 58.4 1.0 NE2 L:HIS115 4.4 43.6 1.0 CZ L:ARG137 4.5 38.1 1.0 CZ L:ARG138 4.5 43.1 1.0 O L:HOH483 4.8 67.7 1.0 CG L:GLU134 4.8 46.4 1.0 CD2 L:HIS115 4.9 44.0 1.0

A.M.Smith, W.C.Brown, E.Harms, J.L.Smith. Structural Investigation Into the Mechanism of the Synthase Subunit of Plps J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X