Calcium in PDB 4n97: E. Coli Sliding Clamp in Complex with 5-Nitroindole

All present enzymatic activity of E. Coli Sliding Clamp in Complex with 5-Nitroindole:
2.7.7.7;

The structure of E. Coli Sliding Clamp in Complex with 5-Nitroindole, PDB code: 4n97 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)	28.90 / 1.97
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	40.880, 64.780, 72.590, 73.91, 84.51, 84.89
R / Rfree (%)	23.2 / 30.6

The binding sites of Calcium atom in the E. Coli Sliding Clamp in Complex with 5-Nitroindole (pdb code 4n97). 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 5-Nitroindole, PDB code: 4n97:

Calcium binding site 1 out of 1 in the E. Coli Sliding Clamp in Complex with 5-Nitroindole


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 5-Nitroindole within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:42.2 occ:1.00 OE2 B:GLU303 2.8 15.3 1.0 O A:ARG103 3.1 12.2 0.7 CD A:ARG105 3.3 16.2 1.0 CD1 B:ILE305 3.4 18.5 1.0 C A:ARG103 3.6 13.0 0.7 CG A:ARG105 3.6 15.6 1.0 CG1 B:ILE305 3.6 17.4 1.0 CD B:GLU303 3.7 15.5 1.0 CG B:GLU303 3.9 15.0 1.0 CA A:ARG103 4.0 12.9 0.7 O B:GLU303 4.1 14.8 1.0 CB A:ARG105 4.2 15.1 1.0 CB A:ARG103 4.3 12.6 0.7 N A:SER104 4.3 13.3 1.0 N A:ARG105 4.4 14.1 1.0 CB B:GLU303 4.4 14.5 1.0 O A:HOH572 4.5 18.2 1.0 CB B:ILE305 4.5 16.9 1.0 C B:GLU303 4.5 14.3 1.0 C A:SER104 4.5 13.6 1.0 CA A:SER104 4.5 13.3 1.0 NE A:ARG105 4.6 17.2 1.0 N B:ILE305 4.6 15.3 1.0 OE1 B:GLU303 4.9 15.8 1.0 C B:GLU304 4.9 14.6 1.0 N B:GLU304 5.0 14.0 1.0 CA A:ARG105 5.0 14.8 1.0

Z.Yin, L.R.Whittell, Y.Wang, S.Jergic, M.Liu, E.J.Harry, N.E.Dixon, J.L.Beck, M.J.Kelso, A.J.Oakley. Discovery of Lead Compounds Targeting the Bacterial Sliding Clamp Using A Fragment-Based Approach. J.Med.Chem. V. 57 2799 2014.
ISSN: ISSN 0022-2623
PubMed: 24592885
DOI: 10.1021/JM500122R