Calcium in PDB 4p5e: Crystal Structure of Human DNPH1 (Rcl) with 6-Naphthyl-Purine- Riboside-Monophosphate

The structure of Crystal Structure of Human DNPH1 (Rcl) with 6-Naphthyl-Purine- Riboside-Monophosphate, PDB code: 4p5e was solved by A.Padilla, G.Labesse, P.A.Kaminski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.36 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.974, 52.284, 54.454, 90.00, 104.77, 90.00
R / Rfree (%)	15.5 / 18

The binding sites of Calcium atom in the Crystal Structure of Human DNPH1 (Rcl) with 6-Naphthyl-Purine- Riboside-Monophosphate (pdb code 4p5e). 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 Human DNPH1 (Rcl) with 6-Naphthyl-Purine- Riboside-Monophosphate, PDB code: 4p5e:

Calcium binding site 1 out of 1 in the Crystal Structure of Human DNPH1 (Rcl) with 6-Naphthyl-Purine- Riboside-Monophosphate


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 Human DNPH1 (Rcl) with 6-Naphthyl-Purine- Riboside-Monophosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:24.9 occ:1.00 O B:HOH349 2.3 29.7 1.0 O B:HOH362 2.3 36.2 1.0 O B:PRO162 2.3 23.7 1.0 OE1 B:GLU164 2.6 33.2 1.0 OD1 B:ASP161 2.6 21.3 0.6 OE2 B:GLU164 2.8 35.5 1.0 CD B:GLU164 3.0 57.4 1.0 C B:PRO162 3.5 18.6 1.0 CG B:ASP161 3.8 24.4 0.6 N B:PRO162 4.1 16.0 1.0 O B:HOH325 4.2 29.2 1.0 C B:ASP161 4.3 15.5 1.0 CA B:PRO162 4.4 18.1 1.0 CG B:GLU164 4.4 51.4 1.0 OD2 B:ASP161 4.5 43.4 0.6 N B:LEU163 4.5 19.5 1.0 CD B:PRO162 4.6 15.2 1.0 O B:ASP161 4.6 14.9 1.0 O B:HOH301 4.6 45.4 1.0 O B:HOH381 4.7 37.9 1.0 CA B:LEU163 4.7 24.7 1.0 CB B:PRO162 4.8 20.9 1.0 N B:GLU164 4.8 33.0 1.0 CA B:ASP161 4.9 19.6 1.0 NH1 B:ARG114 4.9 14.3 1.0 CB B:ASP161 5.0 18.4 0.4 CB B:ASP161 5.0 20.1 0.6

C.Amiable, J.Paoletti, A.Haouz, A.Padilla, G.Labesse, P.A.Kaminski, S.Pochet. 6-(Hetero)Arylpurine Nucleotides As Inhibitors of the Oncogenic Target DNPH1: Synthesis, Structural Studies and Cytotoxic Activities. Eur.J.Med.Chem. V. 85C 418 2014.
ISSN: ISSN 0223-5234
PubMed: 25108359
DOI: 10.1016/J.EJMECH.2014.07.110