Arsenic in PDB 4kw7: The Structure of An As(III) S-Adenosylmethionine Methyltransferase with Phenylarsine Oxide(Pao)

The structure of The Structure of An As(III) S-Adenosylmethionine Methyltransferase with Phenylarsine Oxide(Pao), PDB code: 4kw7 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)	24.56 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	85.095, 47.410, 100.375, 90.00, 113.48, 90.00
R / Rfree (%)	20.3 / 25.4

The structure of The Structure of An As(III) S-Adenosylmethionine Methyltransferase with Phenylarsine Oxide(Pao) also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Arsenic atom in the The Structure of An As(III) S-Adenosylmethionine Methyltransferase with Phenylarsine Oxide(Pao) (pdb code 4kw7). 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 The Structure of An As(III) S-Adenosylmethionine Methyltransferase with Phenylarsine Oxide(Pao), PDB code: 4kw7:

Arsenic binding site 1 out of 1 in the The Structure of An As(III) S-Adenosylmethionine Methyltransferase with Phenylarsine Oxide(Pao)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of The Structure of An As(III) S-Adenosylmethionine Methyltransferase with Phenylarsine Oxide(Pao) within 5.0Å range: probe atom residue distance (Å) B Occ A:As403 b:37.6 occ:1.00 AS7 A:PA0403 0.0 37.6 1.0 C1 A:PA0403 1.9 43.8 1.0 SG A:CYS224 2.2 32.2 1.0 SG A:CYS174 2.3 33.4 1.0 C2 A:PA0403 2.9 40.5 1.0 C6 A:PA0403 2.9 42.6 1.0 CB A:CYS174 3.1 24.0 1.0 O A:CYS174 3.1 26.4 1.0 CB A:CYS224 3.3 28.0 1.0 O A:HOH586 3.8 36.7 1.0 C A:CYS174 4.0 25.8 1.0 CA A:CYS174 4.1 26.9 1.0 C3 A:PA0403 4.2 41.6 1.0 C5 A:PA0403 4.2 44.3 1.0 O A:HOH510 4.3 25.0 1.0 CD1 A:LEU178 4.5 41.7 1.0 CA A:CYS224 4.6 28.2 1.0 C4 A:PA0403 4.7 41.3 1.0 N A:CYS224 4.9 28.1 1.0

C.Packianathan, K.Marapakala, A.A.Ajees, P.Kandavelu, B.P.Rosen. A New Disulfide Cascade Mechanism of the As (III) S-Adenosylmethyltransferase To Be Published.