Magnesium in PDB 5jsj: Crystal Structure of SPINDLIN1 Bound to Compound EML631

The structure of Crystal Structure of SPINDLIN1 Bound to Compound EML631, PDB code: 5jsj was solved by X.Su, H.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.76 / 2.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.790, 123.827, 49.663, 90.00, 92.22, 90.00
R / Rfree (%)	19.9 / 24.9

The structure of Crystal Structure of SPINDLIN1 Bound to Compound EML631 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of SPINDLIN1 Bound to Compound EML631 (pdb code 5jsj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of SPINDLIN1 Bound to Compound EML631, PDB code: 5jsj:

Magnesium binding site 1 out of 1 in the Crystal Structure of SPINDLIN1 Bound to Compound EML631


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 SPINDLIN1 Bound to Compound EML631 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:59.2 occ:1.00 O B:HOH429 1.9 61.4 1.0 O A:HOH423 2.0 60.9 1.0 O A:HOH405 2.0 63.6 1.0 O B:HOH420 2.1 57.3 1.0 O A:HOH407 2.1 61.5 1.0 O B:HOH423 2.3 58.3 1.0 OE2 A:GLU138 4.1 67.9 1.0 OE1 A:GLU138 4.1 49.8 1.0 OE1 B:GLU138 4.2 56.0 1.0 O A:GLU150 4.2 51.1 1.0 O B:GLU150 4.2 54.1 1.0 OE2 B:GLU138 4.3 69.7 1.0 OE2 A:GLU150 4.4 59.5 1.0 CL B:CL302 4.4 67.2 1.0 CL A:CL303 4.4 92.4 1.0 OE2 B:GLU150 4.5 55.9 1.0 CD A:GLU138 4.5 57.4 1.0 CD B:GLU138 4.6 60.2 1.0 CG A:GLU150 4.9 54.5 1.0 CD B:ARG152 4.9 69.3 1.0 C A:GLU150 5.0 54.5 1.0

N.Bae, M.Viviano, X.Su, J.Lv, D.Cheng, C.Sagum, S.Castellano, X.Bai, C.Johnson, M.I.Khalil, J.Shen, K.Chen, H.Li, G.Sbardella, M.T.Bedford. Developing SPINDLIN1 Small-Molecule Inhibitors By Using Protein Microarrays Nat. Chem. Biol. V. 13 750 2017.
ISSN: ESSN 1552-4469
PubMed: 28504676
DOI: 10.1038/NCHEMBIO.2377