Magnesium in PDB 4mjd: Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747

The structure of Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747, PDB code: 4mjd was solved by C.Chang, J.Holowicki, J.Bearden, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.39 / 1.28
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.915, 76.858, 39.297, 90.00, 109.10, 90.00
R / Rfree (%)	13.5 / 16.5

The structure of Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747 (pdb code 4mjd). 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 Ketosteroid Isomerase Fold Protein HMUK_0747, PDB code: 4mjd:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:14.4 occ:1.00 OE1 A:GLU51 2.1 13.0 1.0 O A:HOH324 2.1 15.6 1.0 O A:HOH308 2.1 21.3 1.0 CD A:GLU51 3.1 11.6 1.0 OE2 A:GLU51 3.4 13.1 1.0 O A:HOH317 4.3 17.4 1.0 CG A:GLU51 4.4 11.3 1.0 O A:ARG50 4.5 11.9 1.0 CA A:GLU51 4.7 11.2 1.0 CB A:GLU51 4.8 11.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:23.4 occ:1.00 O A:HOH368 2.0 35.1 1.0 O A:HOH304 2.0 23.1 1.0 O A:HOH303 2.0 22.2 1.0 O A:HOH379 2.2 21.3 1.0 O A:HOH323 4.1 20.2 1.0 O A:HOH408 4.2 29.9 1.0 O A:THR58 4.2 16.2 1.0 O A:ASP57 4.3 18.4 1.0 O A:HOH334 4.4 18.6 1.0 CB A:SER59 4.8 16.2 1.0 C A:ASP57 4.8 17.1 1.0 C A:THR58 4.8 14.5 1.0 O A:ASP15 5.0 14.2 1.0

C.Chang, J.Holowicki, J.Bearden, A.Joachimiak. Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747 To Be Published.