Arsenic in PDB 4rsr: Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with Trivalent Phenyl Arsencial Derivative-Roxarsone

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

Resolution Low / High (Å)	39.70 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	85.156, 46.406, 100.255, 90.00, 114.07, 90.00
R / Rfree (%)	17.3 / 22.4

The structure of Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with Trivalent Phenyl Arsencial Derivative-Roxarsone also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Calcium	(Ca)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Arsenic atom in the Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with Trivalent Phenyl Arsencial Derivative-Roxarsone (pdb code 4rsr). 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 Trivalent Phenyl Arsencial Derivative-Roxarsone, PDB code: 4rsr:

Arsenic binding site 1 out of 1 in the Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with Trivalent Phenyl Arsencial Derivative-Roxarsone


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 Trivalent Phenyl Arsencial Derivative-Roxarsone within 5.0Å range: probe atom residue distance (Å) B Occ A:As401 b:46.4 occ:1.00 AS A:RXO401 0.0 46.4 1.0 C1 A:RXO401 1.9 49.6 1.0 SG A:CYS174 2.3 16.5 0.5 SG A:CYS224 2.3 28.2 1.0 C2 A:RXO401 2.9 48.9 1.0 C6 A:RXO401 2.9 50.6 1.0 CB A:CYS174 3.1 25.4 1.0 O A:CYS174 3.4 28.8 1.0 CB A:CYS224 3.4 22.8 1.0 SG A:CYS174 4.1 38.0 0.5 CA A:CYS174 4.2 27.5 1.0 C A:CYS174 4.2 27.4 1.0 C3 A:RXO401 4.2 58.3 1.0 C5 A:RXO401 4.2 56.3 1.0 O A:HOH544 4.5 27.8 1.0 CD1 A:LEU178 4.6 48.2 1.0 CA A:CYS224 4.7 22.4 1.0 C4 A:RXO401 4.7 55.6 1.0 CB A:CYS44 4.9 55.5 1.0 N A:CYS224 4.9 20.1 1.0 O A:HOH567 4.9 42.6 1.0 O A:GLU223 5.0 23.3 1.0

C.Packianathan, K.Marapakala, A.A.Ajees, P.Kandavelu, B.P.Rosen. A Disulfide Bond Cascade Mechanism For As(III) S-Adenosylmethionine Methyltransferases To Be Published.