Chlorine in PDB 3ia7: Crystal Structure of CALG4, the Calicheamicin Glycosyltransferase

The structure of Crystal Structure of CALG4, the Calicheamicin Glycosyltransferase, PDB code: 3ia7 was solved by A.Chang, S.Singh, C.A.Bingman, J.S.Thorson, G.N.Phillips Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.64 / 1.91
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	84.749, 66.966, 86.616, 90.00, 93.53, 90.00
R / Rfree (%)	25.3 / 30.1

The structure of Crystal Structure of CALG4, the Calicheamicin Glycosyltransferase also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of CALG4, the Calicheamicin Glycosyltransferase (pdb code 3ia7). 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 CALG4, the Calicheamicin Glycosyltransferase, PDB code: 3ia7:

Chlorine binding site 1 out of 1 in the Crystal Structure of CALG4, the Calicheamicin Glycosyltransferase


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 CALG4, the Calicheamicin Glycosyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:34.9 occ:1.00 O A:HOH729 3.1 22.6 1.0 N A:ALA135 3.5 15.0 1.0 CD A:ARG128 3.6 16.2 1.0 NH1 A:ARG128 3.8 17.6 1.0 CA A:ALA134 3.9 15.1 1.0 C A:ALA134 4.2 15.3 1.0 O A:HOH730 4.3 22.9 1.0 CG2 A:THR188 4.3 13.6 1.0 CG2 A:THR130 4.3 16.5 1.0 CB A:ALA135 4.4 18.2 1.0 CG2 A:VAL109 4.4 20.0 1.0 O A:ALA135 4.5 16.3 1.0 CA A:ALA135 4.5 15.7 1.0 CB A:ALA134 4.5 15.8 1.0 NE A:ARG128 4.6 15.0 1.0 O A:PHE133 4.6 13.4 1.0 O A:HOH744 4.6 32.0 1.0 CZ A:ARG128 4.7 17.7 1.0 CE1 A:PHE207 4.8 11.8 1.0 CG A:ARG128 4.8 14.7 1.0 O A:HOH731 4.8 30.2 1.0 CB A:THR130 4.9 16.0 1.0 C A:ALA135 4.9 15.2 1.0 N A:ALA134 5.0 13.8 1.0

A.Chang, S.Singh, K.E.Helmich, R.D.Goff, C.A.Bingman, J.S.Thorson, G.N.Phillips. Complete Set of Glycosyltransferase Structures in the Calicheamicin Biosynthetic Pathway Reveals the Origin of Regiospecificity. Proc.Natl.Acad.Sci.Usa V. 108 17649 2011.
ISSN: ISSN 0027-8424
PubMed: 21987796
DOI: 10.1073/PNAS.1108484108