Calcium in PDB 4ex8: Crystal Structure of the Prealnumycin C-Glycosynthase Alna

The structure of Crystal Structure of the Prealnumycin C-Glycosynthase Alna, PDB code: 4ex8 was solved by T.Oja, L.Niiranen, T.Sandalova, K.D.Klika, J.Niemi, P.Mantsala, G.Schneider, M.Metsa-Ketela, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.96 / 2.10
Space group	I 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	167.897, 167.897, 167.897, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 20.1

The structure of Crystal Structure of the Prealnumycin C-Glycosynthase Alna also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of the Prealnumycin C-Glycosynthase Alna (pdb code 4ex8). 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 the Prealnumycin C-Glycosynthase Alna, PDB code: 4ex8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Prealnumycin C-Glycosynthase Alna


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 the Prealnumycin C-Glycosynthase Alna within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:53.8 occ:0.33 O A:HOH521 2.4 43.9 1.0 OD1 A:ASP135 2.4 44.9 1.0 O A:HOH501 2.8 47.5 0.3 CG A:ASP135 3.5 45.3 1.0 OD2 A:ASP135 3.8 54.0 1.0 CB A:ASP135 4.9 39.1 1.0 CG A:GLU134 4.9 35.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Prealnumycin C-Glycosynthase Alna


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 the Prealnumycin C-Glycosynthase Alna within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:36.2 occ:1.00 OE1 A:GLU169 2.4 33.9 1.0 OE1 A:GLU172 2.4 33.3 1.0 CD A:GLU172 3.4 34.0 1.0 CD A:GLU169 3.6 34.4 1.0 OE2 A:GLU169 4.0 38.9 1.0 OE2 A:GLU172 4.0 37.3 1.0 CG A:GLU172 4.4 25.6 1.0 CB A:GLU172 4.7 25.0 1.0 CG A:GLU169 4.9 29.6 1.0

T.Oja, L.Niiranen, T.Sandalova, K.D.Klika, J.Niemi, P.Mantsala, G.Schneider, M.Metsa-Ketela. Structural Basis For C-Ribosylation in the Alnumycin A Biosynthetic Pathway. Proc.Natl.Acad.Sci.Usa V. 110 1291 2013.
ISSN: ISSN 0027-8424
PubMed: 23297194
DOI: 10.1073/PNAS.1207407110