Arsenic in PDB 1okg: 3-Mercaptopyruvate Sulfurtransferase From Leishmania Major

All present enzymatic activity of 3-Mercaptopyruvate Sulfurtransferase From Leishmania Major:
2.8.1.2;

The structure of 3-Mercaptopyruvate Sulfurtransferase From Leishmania Major, PDB code: 1okg was solved by M.S.Alphey, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.70 / 2.10
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	109.574, 109.574, 67.300, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 28.7

The structure of 3-Mercaptopyruvate Sulfurtransferase From Leishmania Major also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Arsenic atom in the 3-Mercaptopyruvate Sulfurtransferase From Leishmania Major (pdb code 1okg). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the 3-Mercaptopyruvate Sulfurtransferase From Leishmania Major, PDB code: 1okg:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the 3-Mercaptopyruvate Sulfurtransferase From Leishmania Major


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of 3-Mercaptopyruvate Sulfurtransferase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ A:As80 b:52.4 occ:0.70 AS A:CSR80 0.0 52.4 0.7 AS A:CSR80 1.2 45.2 0.3 O2 A:CSR80 1.3 44.1 0.3 O1 A:CSR80 1.6 43.0 0.3 O1 A:CSR80 1.8 47.6 0.7 O2 A:CSR80 1.8 48.5 0.7 O3 A:CSR80 1.8 48.9 0.7 SG A:CSR80 2.2 41.4 0.7 O3 A:CSR80 2.7 44.2 0.3 SG A:CSR80 3.0 40.9 0.3 CB A:CSR80 3.0 37.5 0.3 CB A:CSR80 3.1 37.6 0.7 N A:CSR80 3.7 35.5 1.0 O A:HOH2117 3.9 62.1 1.0 CA A:CSR80 4.0 37.4 1.0 O A:HOH2118 4.0 46.6 1.0 CB A:ALA161 4.2 37.4 1.0 O A:HOH2116 4.2 45.8 1.0 CA A:ALA161 4.3 37.7 1.0 O A:HOH2121 4.4 38.3 1.0 N A:PHE162 4.6 35.8 1.0 O A:THR160 4.7 42.2 1.0 CD1 A:PHE162 4.7 30.6 1.0 C A:PRO79 4.8 34.4 1.0

Arsenic binding site 2 out of 2 in the 3-Mercaptopyruvate Sulfurtransferase From Leishmania Major


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of 3-Mercaptopyruvate Sulfurtransferase From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ A:As80 b:45.2 occ:0.30 AS A:CSR80 0.0 45.2 0.3 O3 A:CSR80 0.8 48.9 0.7 AS A:CSR80 1.2 52.4 0.7 O3 A:CSR80 1.8 44.2 0.3 O1 A:CSR80 1.8 43.0 0.3 O2 A:CSR80 1.8 44.1 0.3 SG A:CSR80 2.2 40.9 0.3 O1 A:CSR80 2.4 47.6 0.7 SG A:CSR80 2.5 41.4 0.7 O2 A:CSR80 2.7 48.5 0.7 CB A:CSR80 2.8 37.6 0.7 CB A:CSR80 2.9 37.5 0.3 N A:PHE162 3.4 35.8 1.0 O A:HOH2116 3.6 45.8 1.0 CD1 A:PHE162 3.6 30.6 1.0 CA A:ALA161 3.6 37.7 1.0 CB A:ALA161 3.8 37.4 1.0 CA A:CSR80 3.9 37.4 1.0 N A:CSR80 3.9 35.5 1.0 O A:HOH2118 4.0 46.6 1.0 C A:ALA161 4.0 36.7 1.0 CE1 A:PHE162 4.1 29.1 1.0 CG A:PHE162 4.2 33.0 1.0 CB A:PHE162 4.4 33.8 1.0 O A:THR160 4.4 42.2 1.0 CA A:PHE162 4.5 34.5 1.0 N A:ALA161 4.9 39.2 1.0 O A:HOH2117 5.0 62.1 1.0

M.S.Alphey, R.A.M.Williams, J.C.Mottram, G.H.Coombs, W.N.Hunter. The Crystal Structure of Leishmania Major 3-Mercaptopyruvate Sulfurtransferase: A Three-Domain Architecture with A Serine Protease-Like Triad at the Active Site J.Biol.Chem. V. 278 48219 2003.
ISSN: ISSN 0021-9258
PubMed: 12952945
DOI: 10.1074/JBC.M307187200