Calcium in PDB 4r5k: Crystal Structure of the Dnak C-Terminus (Dnak-Sbd-B)

The structure of Crystal Structure of the Dnak C-Terminus (Dnak-Sbd-B), PDB code: 4r5k was solved by J.I.Leu, P.Zhang, M.E.Murphy, R.Marmorstein, D.L.George, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.24 / 1.75
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	43.636, 44.827, 63.174, 77.30, 78.14, 72.96
R / Rfree (%)	17.6 / 21.8

The binding sites of Calcium atom in the Crystal Structure of the Dnak C-Terminus (Dnak-Sbd-B) (pdb code 4r5k). 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 Crystal Structure of the Dnak C-Terminus (Dnak-Sbd-B), PDB code: 4r5k:

Calcium binding site 1 out of 1 in the Crystal Structure of the Dnak C-Terminus (Dnak-Sbd-B)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Dnak C-Terminus (Dnak-Sbd-B) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:29.9 occ:1.00 O A:HOH954 2.9 38.7 1.0 O A:HOH845 3.2 22.8 1.0 N B:ILE387 3.4 19.1 1.0 ND1 B:HIS386 3.4 28.1 1.0 N A:MET404 3.5 18.4 1.0 C A:THR403 3.5 16.9 1.0 CA B:HIS386 3.6 18.8 1.0 CA A:THR403 3.8 14.9 1.0 CB B:HIS386 3.8 21.7 1.0 O A:GLU402 3.9 22.4 1.0 O B:ILE387 3.9 18.6 1.0 CA A:MET404 3.9 26.7 1.0 O A:THR403 4.0 19.1 1.0 C B:HIS386 4.0 22.6 1.0 CG2 B:ILE387 4.0 19.3 1.0 CG B:HIS386 4.1 26.7 1.0 O B:HOH871 4.1 36.0 1.0 C A:GLU402 4.3 16.0 1.0 N A:THR403 4.3 14.7 1.0 O B:HOH966 4.3 40.4 1.0 CG A:GLU402 4.3 22.8 1.0 CA B:ILE387 4.4 16.4 1.0 CE1 B:HIS386 4.6 31.3 1.0 C B:ILE387 4.6 19.7 1.0 N B:HIS386 4.8 20.9 1.0 CD A:GLU402 4.8 33.0 1.0 CB B:ILE387 4.8 18.9 1.0 OE2 A:GLU402 4.9 30.1 1.0 CB A:MET404 4.9 22.6 1.0 O B:HIS385 4.9 22.1 1.0 O A:HOH809 4.9 18.4 1.0 O A:HOH863 5.0 37.0 1.0

J.I.Leu, P.Zhang, M.E.Murphy, R.Marmorstein, D.L.George. Structural Basis For the Inhibition of HSP70 and Dnak Chaperones By Small-Molecule Targeting of A C-Terminal Allosteric Pocket. Acs Chem.Biol. 2014.
ISSN: ESSN 1554-8937
PubMed: 25148104
DOI: 10.1021/CB500236Y