Calcium in PDB 5mhc: Crystal Structure of 14-3-3SIGMA and A P53 C-Terminal 12-Mer Synthetic Phosphopeptide

The structure of Crystal Structure of 14-3-3SIGMA and A P53 C-Terminal 12-Mer Synthetic Phosphopeptide, PDB code: 5mhc was solved by S.Andrei, C.Ottmann, S.Leysen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.44 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.114, 112.047, 62.470, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 16.5

The structure of Crystal Structure of 14-3-3SIGMA and A P53 C-Terminal 12-Mer Synthetic Phosphopeptide also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Crystal Structure of 14-3-3SIGMA and A P53 C-Terminal 12-Mer Synthetic Phosphopeptide (pdb code 5mhc). 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 14-3-3SIGMA and A P53 C-Terminal 12-Mer Synthetic Phosphopeptide, PDB code: 5mhc:

Calcium binding site 1 out of 1 in the Crystal Structure of 14-3-3SIGMA and A P53 C-Terminal 12-Mer Synthetic Phosphopeptide


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 14-3-3SIGMA and A P53 C-Terminal 12-Mer Synthetic Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:18.9 occ:0.54 O A:HOH614 2.3 25.3 1.0 OE1 A:GLU2 2.4 14.9 1.0 O A:HOH427 2.5 14.9 1.0 CD A:GLU2 3.4 14.3 1.0 OE2 A:GLU2 3.8 15.2 1.0 HA A:GLU2 4.0 12.9 1.0 H A:ARG3 4.2 13.1 1.0 O A:HOH599 4.4 15.0 1.0 O A:HOH703 4.5 15.4 1.0 CG A:GLU2 4.7 12.8 1.0 O A:HOH628 4.8 37.8 1.0 HB3 A:GLU2 4.8 14.2 1.0 CA A:GLU2 4.9 10.7 1.0 HG2 A:GLU2 5.0 15.4 1.0 O A:HOH455 5.0 21.9 1.0 N A:ARG3 5.0 10.9 1.0

R.G.Doveston, A.Kuusk, S.A.Andrei, S.Leysen, Q.Cao, M.P.Castaldi, A.Hendricks, L.Brunsveld, H.Chen, H.Boyd, C.Ottmann. Small-Molecule Stabilization of the P53 - 14-3-3 Protein-Protein Interaction. Febs Lett. V. 591 2449 2017.
ISSN: ISSN 1873-3468
PubMed: 28640363
DOI: 10.1002/1873-3468.12723