Arsenic in PDB 2jfs: Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis in Complex with Cacodylate

The structure of Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis in Complex with Cacodylate, PDB code: 2jfs was solved by M.Bellinzoni, A.Wehenkel, W.Shepard, P.M.Alzari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.38 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.568, 65.786, 110.059, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 19.1

The structure of Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis in Complex with Cacodylate also contains other interesting chemical elements:

Manganese

(Mn)

3 atoms

The binding sites of Arsenic atom in the Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis in Complex with Cacodylate (pdb code 2jfs). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis in Complex with Cacodylate, PDB code: 2jfs:

Arsenic binding site 1 out of 1 in the Crystal Structure of the Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis in Complex with Cacodylate


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 Ppm Ser-Thr Phosphatase Mspp From Mycobacterium Smegmatis in Complex with Cacodylate within 5.0Å range: probe atom residue distance (Å) B Occ A:As1237 b:13.2 occ:0.60 AS A:CAC1237 0.0 13.2 0.6 O2 A:CAC1237 1.7 9.3 0.6 O1 A:CAC1237 1.8 7.5 0.6 C1 A:CAC1237 1.9 9.8 0.6 C2 A:CAC1237 1.9 14.8 0.6 MN A:MN1234 3.4 10.5 0.8 O A:HOH2233 3.5 13.6 1.0 MN A:MN1236 3.5 7.5 0.5 OD2 A:ASP35 3.5 14.2 1.0 MN A:MN1235 3.5 9.7 1.0 O A:HOH2235 3.6 23.3 1.0 O A:HOH2230 3.6 10.8 1.0 OD1 A:ASP35 3.6 14.7 1.0 O A:HOH2023 3.7 18.7 1.0 CG A:ASP35 3.8 13.5 1.0 O A:HOH2236 3.8 21.4 1.0 CB A:PHE37 4.3 14.7 1.0 O A:GLY36 4.4 13.9 1.0 OD2 A:ASP185 4.5 16.4 1.0 OD1 A:ASP185 4.6 14.0 1.0 O A:ASP35 4.8 12.9 1.0 O A:HOH2234 4.9 21.9 1.0 CB A:ASP35 4.9 13.3 1.0 CG A:ASP185 4.9 17.0 1.0 O A:HOH2229 4.9 14.4 1.0 O A:HOH2239 5.0 52.8 1.0

M.Bellinzoni, A.Wehenkel, W.Shepard, P.M.Alzari. Insights Into the Mechanism of Ppm Ser/Thr Phosphatases From the Atomic Resolution Structures of A Mycobacterial Enzyme Structure V. 15 863 2007.
ISSN: ISSN 0969-2126
PubMed: 17637345
DOI: 10.1016/J.STR.2007.06.002