Calcium 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:

Arsenic

(As)

1 atom

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the The Structure of An As(III) S-Adenosylmethionine Methyltransferase with Phenylarsine Oxide(Pao), PDB code: 4kw7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 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 Calcium with other atoms in the Ca 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:Ca401 b:28.8 occ:1.00 O A:GLY91 2.2 21.3 1.0 O A:HOH694 2.4 29.4 1.0 O A:HOH519 2.4 35.2 1.0 O A:HOH523 2.4 27.4 1.0 O A:HOH520 2.5 29.1 1.0 O A:HOH527 2.5 25.0 1.0 O A:HOH515 2.5 30.9 1.0 C A:GLY91 3.5 26.3 1.0 CZ A:PHE69 4.2 30.8 1.0 O A:CYS72 4.2 31.1 1.0 O A:LEU90 4.3 28.9 1.0 OG A:SER74 4.3 31.8 1.0 CE1 A:PHE69 4.4 35.4 1.0 CA A:GLY91 4.4 24.9 1.0 N A:CYS92 4.4 26.2 1.0 OD2 A:ASP97 4.4 29.1 1.0 O A:HOH563 4.4 35.2 1.0 O A:TYR70 4.5 38.0 1.0 CA A:CYS92 4.5 29.3 1.0 O A:HOH585 4.6 41.9 1.0 OD2 A:ASP89 4.6 27.8 1.0 C A:CYS92 4.6 29.5 1.0 OD1 A:ASP89 4.6 31.5 1.0 O A:ASN173 4.7 26.2 1.0 O A:CYS92 4.8 29.3 1.0 N A:ASN173 4.9 27.6 1.0

Calcium binding site 2 out of 2 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 Calcium with other atoms in the Ca binding site number 2 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:Ca402 b:55.1 occ:1.00 OE1 A:GLN269 2.4 49.4 1.0 O A:HOH651 2.5 43.0 1.0 OD2 A:ASP207 2.5 28.6 1.0 O A:HOH669 2.5 47.5 1.0 OE2 A:GLU367 3.5 75.8 1.0 CD A:GLN269 3.6 44.8 1.0 CG A:ASP207 3.6 29.9 1.0 NH2 A:ARG208 3.9 27.3 1.0 CB A:ASP207 4.0 22.8 1.0 NE2 A:GLN269 4.4 45.3 1.0 CG A:GLN269 4.5 36.1 1.0 OH A:TYR271 4.6 41.2 1.0 O A:HOH529 4.6 35.3 1.0 OD1 A:ASP207 4.6 25.7 1.0 CD A:GLU367 4.8 66.3 1.0 CB A:GLN269 4.9 31.9 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.