Magnesium in PDB 6fcp: Crystal Structure of 14-3-3 Sigma in Complex with SHROOM3 P1244L

The structure of Crystal Structure of 14-3-3 Sigma in Complex with SHROOM3 P1244L, PDB code: 6fcp was solved by S.Leysen, F.A.Meijer, L.G.Milroy, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.55 / 1.45
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.533, 112.185, 62.529, 90.00, 90.00, 90.00
R / Rfree (%)	13.1 / 15.8

The structure of Crystal Structure of 14-3-3 Sigma in Complex with SHROOM3 P1244L also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of 14-3-3 Sigma in Complex with SHROOM3 P1244L (pdb code 6fcp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of 14-3-3 Sigma in Complex with SHROOM3 P1244L, PDB code: 6fcp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of 14-3-3 Sigma in Complex with SHROOM3 P1244L


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of 14-3-3 Sigma in Complex with SHROOM3 P1244L within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:11.8 occ:1.00 O A:HOH625 2.3 33.7 1.0 OE1 A:GLU2 2.4 16.6 1.0 O A:HOH432 2.5 17.0 1.0 O A:HOH695 2.8 35.8 1.0 CD A:GLU2 3.4 15.2 1.0 OE2 A:GLU2 3.8 16.0 1.0 HA A:GLU2 4.0 13.6 1.0 H A:ARG3 4.1 13.7 1.0 O A:HOH599 4.4 16.0 1.0 O A:HOH758 4.5 16.9 1.0 CG A:GLU2 4.7 12.9 1.0 HB3 A:GLU2 4.7 14.3 1.0 CA A:GLU2 4.8 11.3 1.0 HG2 A:GLU2 4.9 15.5 1.0 N A:ARG3 4.9 11.4 1.0 CB A:GLU2 5.0 11.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of 14-3-3 Sigma in Complex with SHROOM3 P1244L


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of 14-3-3 Sigma in Complex with SHROOM3 P1244L within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:12.9 occ:1.00 O A:GLU110 2.3 17.6 1.0 OE1 A:GLU35 2.3 20.5 1.0 O A:HOH605 2.3 24.2 1.0 O A:HOH632 2.4 21.5 1.0 OE2 A:GLU35 2.7 24.1 1.0 CD A:GLU35 2.8 21.1 1.0 H A:GLY112 3.5 20.7 1.0 C A:GLU110 3.5 14.8 1.0 HB3 A:GLU110 3.8 22.4 1.0 HA A:ALA111 3.9 17.8 1.0 O A:HOH636 4.1 45.7 1.0 N A:GLY112 4.1 17.3 1.0 HA A:GLU110 4.3 18.9 1.0 CG A:GLU35 4.3 16.6 1.0 CA A:GLU110 4.4 15.7 1.0 HA3 A:GLY112 4.4 20.8 1.0 N A:ALA111 4.4 14.1 1.0 O A:HOH490 4.5 24.5 1.0 CA A:ALA111 4.5 14.8 1.0 CB A:GLU110 4.5 18.6 1.0 HG2 A:GLU35 4.5 19.9 1.0 OE1 A:GLU110 4.6 32.9 1.0 HG3 A:GLU35 4.6 19.9 1.0 C A:ALA111 4.7 16.7 1.0 CA A:GLY112 4.8 17.3 1.0 O A:HOH677 4.8 45.9 1.0 O A:HOH502 4.9 23.9 1.0

J.W.Prokop, N.C.Yeo, C.Ottmann, S.B.Chhetri, K.L.Florus, E.J.Ross, N.Sosonkina, B.A.Link, B.I.Freedman, C.J.Coppola, C.Mcdermott-Roe, S.Leysen, L.G.Milroy, F.A.Meijer, A.M.Geurts, F.J.Rauscher, R.Ramaker, M.J.Flister, H.J.Jacob, E.M.Mendenhall, J.Lazar. Characterization of Coding/Noncoding Variants FORSHROOM3IN Patients with Ckd. J. Am. Soc. Nephrol. V. 29 1525 2018.
ISSN: ISSN 1533-3450
PubMed: 29476007
DOI: 10.1681/ASN.2017080856