Sodium in PDB 7e4a: Crystal Structure of Mif Bound to Compound 13

All present enzymatic activity of Crystal Structure of Mif Bound to Compound 13:
5.3.2.1; 5.3.3.12;

The structure of Crystal Structure of Mif Bound to Compound 13, PDB code: 7e4a was solved by C.P.Fa, D.Y.Guo, L.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.14 / 1.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.766, 68.4, 88.663, 90, 90, 90
R / Rfree (%)	17.6 / 20.7

The structure of Crystal Structure of Mif Bound to Compound 13 also contains other interesting chemical elements:

Chlorine

(Cl)

11 atoms

The binding sites of Sodium atom in the Crystal Structure of Mif Bound to Compound 13 (pdb code 7e4a). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Mif Bound to Compound 13, PDB code: 7e4a:

Sodium binding site 1 out of 1 in the Crystal Structure of Mif Bound to Compound 13


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Mif Bound to Compound 13 within 5.0Å range: probe atom residue distance (Å) B Occ C:Na205 b:25.1 occ:1.00 OG C:SER20 3.1 15.9 1.0 O B:HOH319 3.1 19.0 1.0 O C:HOH324 3.3 19.1 1.0 CB C:SER20 3.6 13.8 1.0 CA C:SER20 3.7 12.7 1.0 NE2 C:GLN24 3.9 20.2 1.0 CA B:GLY51 3.9 13.2 1.0 O C:SER20 4.1 14.0 1.0 CB C:THR23 4.1 12.3 1.0 CG C:GLN24 4.1 15.9 1.0 CG2 C:THR23 4.1 13.8 1.0 C C:SER20 4.4 13.6 1.0 O B:GLY51 4.4 17.2 1.0 CD C:GLN24 4.5 19.9 1.0 OG1 C:THR23 4.6 13.4 1.0 O C:HOH409 4.6 18.1 1.0 C B:GLY51 4.7 14.5 1.0 N C:SER20 4.9 12.7 1.0 N B:GLY51 5.0 13.4 1.0

L.Yang, D.Guo, C.Fan. Identification and Structure-Activity Relationships of Dietary Flavonoids As Human Macrophage Migration Inhibitory Factor (Mif) Inhibitors. J.Agric.Food Chem. V. 69 10138 2021.
ISSN: ESSN 1520-5118
PubMed: 34459191
DOI: 10.1021/ACS.JAFC.1C03367