Chlorine in PDB 4k3l: E. Coli Sliding Clamp in Complex with Aclf Dipeptide

All present enzymatic activity of E. Coli Sliding Clamp in Complex with Aclf Dipeptide:
2.7.7.7;

The structure of E. Coli Sliding Clamp in Complex with Aclf Dipeptide, PDB code: 4k3l was solved by Z.Yin, A.J.Oakley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.06 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.845, 67.464, 81.369, 90.00, 113.73, 90.00
R / Rfree (%)	21.7 / 25.5

The structure of E. Coli Sliding Clamp in Complex with Aclf Dipeptide also contains other interesting chemical elements:

Calcium

(Ca)

12 atoms

The binding sites of Chlorine atom in the E. Coli Sliding Clamp in Complex with Aclf Dipeptide (pdb code 4k3l). 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 E. Coli Sliding Clamp in Complex with Aclf Dipeptide, PDB code: 4k3l:

Chlorine binding site 1 out of 1 in the E. Coli Sliding Clamp in Complex with Aclf Dipeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E. Coli Sliding Clamp in Complex with Aclf Dipeptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl416 b:24.1 occ:1.00 O B:THR110 2.4 15.6 1.0 O B:HOH688 2.6 24.9 1.0 O B:HOH817 2.7 23.3 1.0 O B:HOH822 2.8 33.0 1.0 OE2 B:GLU95 3.3 36.5 1.0 C B:THR110 3.6 15.3 1.0 CD2 B:LEU111 4.1 16.2 1.0 N B:THR110 4.1 14.9 1.0 CA B:THR110 4.5 15.0 1.0 CD B:GLU95 4.5 34.4 1.0 O B:GLU95 4.5 23.9 1.0 N B:LEU111 4.5 15.5 1.0 OG1 B:THR110 4.6 15.2 1.0 CA B:LEU111 4.7 15.2 1.0 O B:HOH600 4.7 20.2 1.0 CG B:LEU111 4.9 16.0 1.0 CB B:GLU95 4.9 30.4 1.0 CB B:SER109 5.0 14.0 1.0

Z.Yin, M.J.Kelso, J.L.Beck, A.J.Oakley. Structural and Thermodynamic Dissection of Linear Motif Recognition By the E. Coli Sliding Clamp J.Med.Chem. V. 56 8665 2013.
ISSN: ISSN 0022-2623
PubMed: 24090409
DOI: 10.1021/JM401118F