Chlorine in PDB 4al3: Peptide Deformylase (Co-Form) with Mercaptoethanol

All present enzymatic activity of Peptide Deformylase (Co-Form) with Mercaptoethanol:
3.5.1.88;

The structure of Peptide Deformylase (Co-Form) with Mercaptoethanol, PDB code: 4al3 was solved by G.J.Palm, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.18 / 1.98
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	55.630, 55.630, 229.340, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 27.6

The structure of Peptide Deformylase (Co-Form) with Mercaptoethanol also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Chlorine atom in the Peptide Deformylase (Co-Form) with Mercaptoethanol (pdb code 4al3). 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 Peptide Deformylase (Co-Form) with Mercaptoethanol, PDB code: 4al3:

Chlorine binding site 1 out of 1 in the Peptide Deformylase (Co-Form) with Mercaptoethanol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Peptide Deformylase (Co-Form) with Mercaptoethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1164 b:55.0 occ:1.00 O A:HOH2064 3.2 51.3 1.0 ND1 A:HIS132 3.6 36.6 1.0 CG A:HIS132 3.6 37.4 1.0 CB A:HIS132 3.7 33.8 1.0 CA A:CYS129 3.9 35.7 1.0 CE1 A:HIS132 4.2 42.2 1.0 CB A:CYS129 4.2 37.5 1.0 CD1 A:ILE44 4.3 38.5 1.0 CD2 A:HIS132 4.3 40.2 1.0 OE1 A:GLU88 4.3 37.3 1.0 C1 A:BME1165 4.4 48.5 1.0 N A:CYS129 4.4 35.2 1.0 SG A:CYS129 4.5 39.0 1.0 CG2 A:ILE128 4.5 30.4 1.0 O A:GLY89 4.6 46.2 1.0 CD A:GLU88 4.6 36.6 1.0 CG A:GLU88 4.6 37.5 1.0 NE2 A:HIS132 4.6 41.3 1.0 O A:ILE128 4.6 31.4 1.0 C A:ILE128 4.8 32.7 1.0 CG1 A:ILE44 4.8 40.8 1.0 CB A:GLU88 4.9 40.0 1.0

M.Strianese, G.J.Palm, S.Milione, O.Kuhl, W.Hinrichs, C.Pellecchia. A Fret Enzyme-Based Probe For Monitoring Hydrogen Sulfide. Inorg.Chem. V. 51 11220 2012.
ISSN: ISSN 0020-1669
PubMed: 23072298
DOI: 10.1021/IC301363D