Calcium in PDB 4mjr: E. Coli Sliding Clamp in Complex with (S)-Carprofen

All present enzymatic activity of E. Coli Sliding Clamp in Complex with (S)-Carprofen:
2.7.7.7;

The structure of E. Coli Sliding Clamp in Complex with (S)-Carprofen, PDB code: 4mjr 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)	21.27 / 1.62
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	40.890, 64.190, 71.880, 74.01, 82.99, 84.03
R / Rfree (%)	18.9 / 22.5

The structure of E. Coli Sliding Clamp in Complex with (S)-Carprofen also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Calcium atom in the E. Coli Sliding Clamp in Complex with (S)-Carprofen (pdb code 4mjr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the E. Coli Sliding Clamp in Complex with (S)-Carprofen, PDB code: 4mjr:

Calcium binding site 1 out of 1 in the E. Coli Sliding Clamp in Complex with (S)-Carprofen


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of E. Coli Sliding Clamp in Complex with (S)-Carprofen within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca405 b:56.0 occ:1.00 OD1 B:ASP351 2.9 20.1 1.0 N B:ASN335 3.1 22.9 1.0 O B:ASN335 3.3 20.1 1.0 CB B:ALA353 3.5 27.4 1.0 N B:GLU334 3.7 24.9 1.0 CB B:GLU334 3.7 26.2 1.0 CA B:ASN335 3.8 22.4 1.0 N B:ALA353 3.8 25.4 1.0 CB B:ASN335 3.8 24.4 1.0 CA B:GLU334 4.0 25.2 1.0 C B:ASN335 4.0 21.6 1.0 C B:GLU334 4.0 23.3 1.0 CG B:ASP351 4.0 20.7 1.0 CB B:CYS333 4.2 25.5 1.0 OD1 B:ASN335 4.2 29.5 1.0 CA B:ALA353 4.3 26.4 1.0 CB B:ALA352 4.4 22.8 1.0 OD2 B:ASP351 4.4 21.5 1.0 N B:ALA352 4.5 21.5 1.0 CG B:ASN335 4.5 25.0 1.0 C B:CYS333 4.6 25.3 1.0 SG B:CYS333 4.6 25.9 1.0 C B:ALA352 4.6 23.8 1.0 CA B:ALA352 4.7 22.8 1.0 OE1 B:GLU334 4.8 29.6 1.0 CG B:GLU334 4.9 27.8 1.0 CA B:CYS333 5.0 26.1 1.0

Z.Yin, Y.Wang, L.R.Whittell, S.Jergic, M.Liu, E.Harry, N.E.Dixon, M.J.Kelso, J.L.Beck, A.J.Oakley. Dna Replication Is the Target For the Antibacterial Effects of Nonsteroidal Anti-Inflammatory Drugs. Chem.Biol. V. 21 481 2014.
ISSN: ISSN 1074-5521
PubMed: 24631121
DOI: 10.1016/J.CHEMBIOL.2014.02.009