Calcium 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:

Arsenic	(As)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with As(III), PDB code: 4fsd:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with As(III)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca403 b:30.4 occ:1.00 O A:GLY91 2.2 26.5 1.0 O A:HOH695 2.4 30.1 1.0 O A:HOH697 2.4 34.9 1.0 O A:HOH574 2.4 32.4 1.0 O A:HOH696 2.5 29.8 1.0 O A:HOH694 2.5 31.9 1.0 O A:HOH584 2.6 31.5 1.0 C A:GLY91 3.5 25.3 1.0 CZ A:PHE69 4.0 34.0 1.0 O A:CYS72 4.3 35.7 1.0 OG A:SER74 4.3 29.9 1.0 O A:TYR70 4.4 40.4 1.0 O A:LEU90 4.4 26.8 1.0 N A:CYS92 4.4 27.6 1.0 CA A:GLY91 4.4 27.8 1.0 O A:HOH614 4.4 39.5 1.0 CA A:CYS92 4.5 29.4 1.0 CE1 A:PHE69 4.5 34.7 1.0 OD2 A:ASP89 4.5 29.4 1.0 OD2 A:ASP97 4.5 32.8 1.0 OD1 A:ASP89 4.6 26.7 1.0 C A:CYS92 4.6 29.6 1.0 O A:HOH565 4.7 37.1 1.0 O A:ASN173 4.8 26.6 1.0 O A:CYS92 4.8 32.4 1.0 CG A:ASP89 5.0 31.4 1.0 N A:GLY93 5.0 29.2 1.0 CE2 A:PHE69 5.0 36.6 1.0

Calcium binding site 2 out of 2 in the Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with As(III)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with As(III) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:40.5 occ:1.00 OE1 A:GLN269 2.3 40.7 1.0 OD2 A:ASP207 2.4 28.3 1.0 O A:HOH699 2.5 32.4 1.0 CG A:ASP207 3.5 26.8 1.0 CD A:GLN269 3.5 39.4 1.0 CB A:ASP207 3.9 24.1 1.0 NH2 A:ARG208 3.9 28.5 1.0 CG A:GLN269 4.3 32.2 1.0 NE2 A:GLN269 4.5 45.4 1.0 OD1 A:ASP207 4.5 23.7 1.0 OE2 A:GLU367 4.7 65.5 1.0 O A:HOH572 4.7 27.9 1.0 OH A:TYR271 4.7 33.3 1.0 CB A:GLN269 4.7 28.1 1.0 CD A:GLU367 4.8 62.4 1.0 O A:HOH682 4.9 49.0 1.0 CG A:GLU367 4.9 55.5 1.0 O A:HOH569 5.0 37.4 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