Calcium 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
Arsenic	(As)	1 atom
Sodium	(Na)	1 atom

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

Calcium binding site 1 out of 2 in the Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with Trivalent Phenyl Arsencial Derivative-Roxarsone


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 Trivalent Phenyl Arsencial Derivative-Roxarsone within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:30.0 occ:1.00 O A:HOH616 2.3 30.1 1.0 O A:HOH526 2.3 23.6 1.0 O A:HOH617 2.3 23.2 1.0 O A:GLY91 2.4 20.9 1.0 O A:HOH624 2.5 31.5 1.0 O A:HOH550 2.5 23.6 1.0 O A:HOH603 2.6 32.7 1.0 C A:GLY91 3.6 21.7 1.0 CZ A:PHE69 4.0 26.2 1.0 O A:CYS72 4.3 29.2 1.0 O A:LEU90 4.3 25.7 1.0 OG A:SER74 4.4 32.0 1.0 OD2 A:ASP97 4.4 40.8 1.0 CA A:GLY91 4.4 22.1 1.0 CE1 A:PHE69 4.5 25.6 1.0 N A:CYS92 4.5 20.4 1.0 CA A:CYS92 4.5 23.6 1.0 O A:TYR70 4.5 40.8 1.0 OD1 A:ASP89 4.5 28.1 1.0 C A:CYS92 4.6 24.6 1.0 O A:ASN173 4.6 26.1 1.0 O A:HOH585 4.7 33.6 1.0 OD2 A:ASP89 4.7 27.7 1.0 O A:CYS92 4.8 25.2 1.0 N A:GLY93 4.9 24.8 1.0 CE2 A:PHE69 4.9 26.4 1.0 N A:ASN173 5.0 28.8 1.0

Calcium binding site 2 out of 2 in the Arsm Arsenic(III) S-Adenosylmethionine Methyltransferase with Trivalent Phenyl Arsencial Derivative-Roxarsone


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 Trivalent Phenyl Arsencial Derivative-Roxarsone within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:40.7 occ:1.00 OD2 A:ASP207 2.3 23.4 1.0 OE1 A:GLN269 2.4 39.9 1.0 O A:HOH618 2.4 36.4 1.0 OE2 A:GLU367 2.6 81.7 1.0 CG A:ASP207 3.4 22.7 1.0 CD A:GLU367 3.5 75.2 1.0 CD A:GLN269 3.6 37.1 1.0 CB A:ASP207 3.8 18.1 1.0 CG A:GLU367 3.9 58.5 1.0 NH2 A:ARG208 4.0 23.8 1.0 CG A:GLN269 4.5 28.8 1.0 OH A:TYR271 4.6 28.1 1.0 OD1 A:ASP207 4.6 19.9 1.0 NE2 A:GLN269 4.6 35.4 1.0 OE1 A:GLU367 4.6 76.7 1.0 O A:HOH538 4.6 25.5 1.0 CB A:GLN269 4.8 22.2 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.