Arsenic in PDB 4fsd: Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with As(III)

The structure of Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with As(III), PDB code: 4fsd was solved by A.A.Ajees, K.Marapakala, C.Packianathan, B.Sankaran, B.P.Rosen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	85.246, 46.762, 100.528, 90.00, 114.33, 90.00
R / Rfree (%)	19.9 / 23.9

The structure of Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with As(III) also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	2 atoms

The binding sites of Arsenic atom in the Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with As(III) (pdb code 4fsd). 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 Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with As(III), PDB code: 4fsd:

Arsenic binding site 1 out of 1 in the Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with As(III)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with As(III) within 5.0Å range: probe atom residue distance (Å) B Occ A:As401 b:38.2 occ:1.00 SG A:CYS174 2.2 34.0 1.0 SG A:CYS224 2.2 32.0 1.0 CL A:CL402 2.3 45.8 1.0 CB A:CYS174 3.0 30.8 1.0 O A:CYS174 3.2 31.4 1.0 CB A:CYS224 3.3 31.3 1.0 O A:HOH591 3.8 34.5 1.0 C A:CYS174 4.1 28.0 1.0 CA A:CYS174 4.1 27.6 1.0 O A:HOH507 4.3 29.0 1.0 CD2 A:LEU178 4.3 43.8 1.0 CA A:CYS224 4.6 27.7 1.0 O A:HOH678 4.7 44.4 1.0 O A:GLU223 4.8 27.6 1.0 N A:CYS224 4.8 24.4 1.0 C A:GLU223 5.0 27.1 1.0

A.A.Ajees, K.Marapakala, C.Packianathan, B.Sankaran, B.P.Rosen. Structure of An As(III) S-Adenosylmethionine Methyltransferase: Insights Into the Mechanism of Arsenic Biotransformation. Biochemistry V. 51 5476 2012.
ISSN: ISSN 0006-2960
PubMed: 22712827
DOI: 10.1021/BI3004632