Calcium in PDB 4fs8: The Structure of An As(III) S-Adenosylmethionine Methyltransferase: Insights Into the Mechanism of Arsenic Biotransformation

The structure of The Structure of An As(III) S-Adenosylmethionine Methyltransferase: Insights Into the Mechanism of Arsenic Biotransformation, PDB code: 4fs8 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 / 1.78
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.750, 47.198, 101.677, 90.00, 115.67, 90.00
R / Rfree (%)	17.7 / 20.5

The binding sites of Calcium atom in the The Structure of An As(III) S-Adenosylmethionine Methyltransferase: Insights Into the Mechanism of Arsenic Biotransformation (pdb code 4fs8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the The Structure of An As(III) S-Adenosylmethionine Methyltransferase: Insights Into the Mechanism of Arsenic Biotransformation, PDB code: 4fs8:

Calcium binding site 1 out of 1 in the The Structure of An As(III) S-Adenosylmethionine Methyltransferase: Insights Into the Mechanism of Arsenic Biotransformation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of An As(III) S-Adenosylmethionine Methyltransferase: Insights Into the Mechanism of Arsenic Biotransformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:20.5 occ:1.00 O A:GLY91 2.3 16.6 1.0 O A:HOH751 2.4 20.1 1.0 O A:HOH753 2.4 21.6 1.0 O A:HOH787 2.4 18.4 1.0 O A:HOH757 2.4 20.8 1.0 O A:HOH511 2.5 24.4 1.0 O A:HOH552 2.5 26.1 1.0 C A:GLY91 3.6 16.2 1.0 CZ A:PHE69 4.1 23.5 1.0 O A:HOH580 4.2 28.4 1.0 O A:CYS72 4.3 25.2 1.0 OG A:SER74 4.4 21.3 1.0 CE1 A:PHE69 4.4 22.5 1.0 O A:HOH575 4.5 36.1 1.0 O A:LEU90 4.5 16.8 1.0 CA A:GLY91 4.5 15.7 1.0 N A:CYS92 4.5 17.2 1.0 O A:TYR70 4.5 30.1 1.0 OD2 A:ASP97 4.5 20.4 1.0 CA A:CYS92 4.5 18.6 1.0 OD2 A:ASP89 4.5 18.5 1.0 OD1 A:ASP89 4.5 18.1 1.0 O A:HOH523 4.6 27.2 1.0 C A:CYS92 4.6 19.0 1.0 O A:ASN173 4.7 18.9 1.0 O A:CYS92 4.9 19.3 1.0 N A:ASN173 4.9 15.8 1.0 CG A:ASP89 5.0 18.7 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