Chlorine 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:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Prealnumycin C-Glycosynthase Alna, PDB code: 4ex8:

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl404 b:72.5 occ:1.00 OE1 A:GLU172 3.9 33.3 1.0 O A:HOH586 4.1 41.2 1.0 NH1 A:ARG165 4.1 45.0 0.5 OE2 A:GLU169 4.3 38.9 1.0 CG1 A:VAL196 4.4 33.4 1.0 CD A:PRO197 4.5 45.4 1.0 CB A:ALA168 4.5 27.7 1.0 O A:HOH540 4.6 27.7 1.0 O A:PRO197 4.6 43.4 1.0 O A:ALA168 4.6 25.6 1.0 CD A:GLU169 4.6 34.4 1.0 CD A:GLU172 4.7 34.0 1.0 C A:ALA168 4.8 25.2 1.0 CG A:PRO197 4.8 46.6 1.0 OE1 A:GLU169 4.8 33.9 1.0 N A:GLU169 5.0 27.2 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