Calcium in PDB 4djd: Crystal Structure of Folate-Free Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr)

The structure of Crystal Structure of Folate-Free Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr), PDB code: 4djd was solved by Y.Kung, T.I.Doukov, L.C.Blasiak, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.83 / 2.38
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	125.614, 242.843, 79.665, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.9

The structure of Crystal Structure of Folate-Free Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr) also contains other interesting chemical elements:

Cobalt	(Co)	2 atoms
Iron	(Fe)	8 atoms

The binding sites of Calcium atom in the Crystal Structure of Folate-Free Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr) (pdb code 4djd). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Folate-Free Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr), PDB code: 4djd:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Folate-Free Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Folate-Free Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:70.6 occ:1.00 O A:GLY222 2.9 49.3 1.0 O A:HOH433 3.0 54.0 1.0 O A:HOH427 3.0 43.7 1.0 OD1 A:ASP224 3.0 40.4 1.0 OD2 A:ASP224 3.1 55.3 1.0 O A:HOH430 3.1 66.9 1.0 O A:HOH428 3.2 58.2 1.0 O A:HOH431 3.3 71.8 1.0 CG A:ASP224 3.4 46.2 1.0 C A:GLY222 3.8 42.1 1.0 CA A:GLY222 4.0 37.1 1.0 O A:PRO191 4.7 53.6 1.0 OG1 A:THR193 4.8 43.4 1.0 O A:HOH423 4.9 34.9 1.0 CB A:ASP224 4.9 45.1 1.0 O A:HOH401 4.9 54.3 1.0 N A:LEU223 5.0 40.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Folate-Free Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Folate-Free Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:76.7 occ:1.00 O B:HOH430 2.9 76.3 1.0 O B:GLY222 3.0 63.2 1.0 OD1 B:ASP224 3.0 53.3 1.0 O B:HOH422 3.1 62.8 1.0 O B:HOH423 3.1 49.7 1.0 OD2 B:ASP224 3.2 49.3 1.0 O B:HOH432 3.2 91.7 1.0 CG B:ASP224 3.5 48.6 1.0 O B:HOH433 3.7 64.6 1.0 C B:GLY222 3.8 49.5 1.0 CA B:GLY222 4.0 36.8 1.0 OG1 B:THR193 4.9 47.4 1.0 O B:PRO191 4.9 55.2 1.0 O B:HOH431 5.0 40.9 1.0 CB B:ASP224 5.0 45.0 1.0

Y.Kung, N.Ando, T.I.Doukov, L.C.Blasiak, G.Bender, J.Seravalli, S.W.Ragsdale, C.L.Drennan. Visualizing Molecular Juggling Within A B12-Dependent Methyltransferase Complex. Nature V. 484 265 2012.
ISSN: ISSN 0028-0836
PubMed: 22419154
DOI: 10.1038/NATURE10916