Magnesium in PDB 6fbb: Crystal Structure of 14-3-3 Sigma in Complex with Wild-Type SHROOM3

The structure of Crystal Structure of 14-3-3 Sigma in Complex with Wild-Type SHROOM3, PDB code: 6fbb 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)	45.63 / 1.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.528, 112.241, 62.725, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 16.6

The structure of Crystal Structure of 14-3-3 Sigma in Complex with Wild-Type SHROOM3 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 Wild-Type SHROOM3 (pdb code 6fbb). 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 Wild-Type SHROOM3, PDB code: 6fbb:
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 Wild-Type SHROOM3


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 Wild-Type SHROOM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:11.9 occ:0.50 OE1 A:GLU2 2.4 15.5 1.0 O A:HOH420 2.5 14.9 1.0 CD A:GLU2 3.4 13.9 1.0 OE2 A:GLU2 3.8 14.2 1.0 HA A:GLU2 4.0 12.5 1.0 H A:ARG3 4.2 12.7 1.0 O A:HOH574 4.4 15.1 1.0 O A:HOH684 4.5 15.2 1.0 CG A:GLU2 4.7 12.3 1.0 HB3 A:GLU2 4.7 13.1 1.0 CA A:GLU2 4.9 10.4 1.0 HG2 A:GLU2 5.0 14.7 1.0 N A:ARG3 5.0 10.6 1.0 CB A:GLU2 5.0 10.9 1.0

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


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 Wild-Type SHROOM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:12.8 occ:1.00 O A:GLU110 2.3 15.4 1.0 O A:HOH578 2.3 22.3 1.0 O A:HOH594 2.4 21.0 1.0 OE1 A:GLU35 2.4 18.0 1.0 OE2 A:GLU35 2.7 20.9 1.0 CD A:GLU35 2.9 19.3 1.0 H A:GLY112 3.5 20.1 1.0 C A:GLU110 3.5 14.0 1.0 HB3 A:GLU110 3.8 19.1 1.0 HA A:ALA111 3.9 17.2 1.0 N A:GLY112 4.1 16.7 1.0 O A:HOH613 4.1 30.7 1.0 HA A:GLU110 4.3 16.6 1.0 CG A:GLU35 4.3 16.1 1.0 CA A:GLU110 4.4 13.8 1.0 N A:ALA111 4.4 13.4 1.0 HA3 A:GLY112 4.4 21.4 1.0 CA A:ALA111 4.5 14.3 1.0 O A:HOH433 4.5 25.8 1.0 HG2 A:GLU35 4.6 19.4 1.0 CB A:GLU110 4.6 15.9 1.0 OE1 A:GLU110 4.6 26.4 1.0 HG3 A:GLU35 4.7 19.4 1.0 C A:ALA111 4.7 16.1 1.0 CA A:GLY112 4.9 17.8 1.0 O A:HOH526 4.9 22.8 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