Calcium in PDB 4dje: Crystal Structure of Folate-Bound Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr), Co-Crystallized with Folate

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

Resolution Low / High (Å)	48.46 / 3.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	136.419, 250.664, 82.427, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 28.9

The structure of Crystal Structure of Folate-Bound Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr), Co-Crystallized with Folate 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-Bound Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr), Co-Crystallized with Folate (pdb code 4dje). 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-Bound Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr), Co-Crystallized with Folate, PDB code: 4dje:
Jump to Calcium binding site number: 1; 2;

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


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-Bound Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr), Co-Crystallized with Folate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:30.0 occ:1.00 O A:GLY222 3.3 0.3 1.0 OD2 A:ASP224 3.4 71.9 1.0 OD1 A:ASP224 3.6 71.9 1.0 O A:HOH401 3.6 30.0 1.0 CA A:GLY222 3.8 0.3 1.0 CG A:ASP224 3.8 71.9 1.0 C A:GLY222 3.9 0.3 1.0 CE A:LYS184 4.0 0.8 1.0 CG A:LYS184 4.7 0.8 1.0 CD A:LYS184 4.8 0.8 1.0 NZ A:LYS184 4.9 0.8 1.0

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


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-Bound Corrinoid Iron-Sulfur Protein (Cfesp) in Complex with Its Methyltransferase (Metr), Co-Crystallized with Folate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:30.0 occ:1.00 O B:GLY222 3.3 91.4 1.0 O B:HOH402 3.3 30.0 1.0 OD2 B:ASP224 3.3 89.2 1.0 O B:HOH401 3.4 30.0 1.0 O B:PRO191 3.7 0.2 1.0 OD1 B:ASP224 3.8 89.2 1.0 CG B:ASP224 3.9 89.2 1.0 CB B:LYS184 4.0 0.5 1.0 C B:GLY222 4.2 91.4 1.0 CA B:GLY222 4.5 91.4 1.0 CB B:ALA190 4.6 0.6 1.0 CD B:LYS184 4.7 0.5 1.0 CA B:LYS184 4.7 0.4 1.0 C B:PRO191 4.8 0.2 1.0 CG B:LYS184 4.8 0.5 1.0 CG2 B:THR193 4.9 0.5 1.0 CA B:LYS192 4.9 0.8 1.0 OG1 B:THR193 5.0 0.5 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