Magnesium in PDB 8w3z: Crystal Structure of A Computationally Designed Metalloprotein Containing the Metal-Chelating, Fluorogenic, Non-Canonical Amino Acid 3-(8-Hydroxyquinolin-3-Yl)-L-Alanine: Magnesium-Bound Form

The structure of Crystal Structure of A Computationally Designed Metalloprotein Containing the Metal-Chelating, Fluorogenic, Non-Canonical Amino Acid 3-(8-Hydroxyquinolin-3-Yl)-L-Alanine: Magnesium-Bound Form, PDB code: 8w3z was solved by P.I.Kelly, J.N.Henderson, J.H.Mills, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.74 / 1.49
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	62.752, 62.752, 122.207, 90, 90, 120
R / Rfree (%)	13.7 / 18.8

The binding sites of Magnesium atom in the Crystal Structure of A Computationally Designed Metalloprotein Containing the Metal-Chelating, Fluorogenic, Non-Canonical Amino Acid 3-(8-Hydroxyquinolin-3-Yl)-L-Alanine: Magnesium-Bound Form (pdb code 8w3z). 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 A Computationally Designed Metalloprotein Containing the Metal-Chelating, Fluorogenic, Non-Canonical Amino Acid 3-(8-Hydroxyquinolin-3-Yl)-L-Alanine: Magnesium-Bound Form, PDB code: 8w3z:

Magnesium binding site 1 out of 1 in the Crystal Structure of A Computationally Designed Metalloprotein Containing the Metal-Chelating, Fluorogenic, Non-Canonical Amino Acid 3-(8-Hydroxyquinolin-3-Yl)-L-Alanine: Magnesium-Bound Form


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 A Computationally Designed Metalloprotein Containing the Metal-Chelating, Fluorogenic, Non-Canonical Amino Acid 3-(8-Hydroxyquinolin-3-Yl)-L-Alanine: Magnesium-Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg306 b:43.4 occ:1.00 OE1 A:GLU210 2.1 38.7 1.0 N06 A:HQA110 2.2 33.0 1.0 O A:HOH598 2.2 72.8 1.0 O09 A:HQA110 2.3 45.0 1.0 O A:HOH609 2.4 59.0 1.0 HD22 A:LEU231 2.6 30.7 0.5 OE1 A:GLU159 2.7 27.8 0.6 HD23 A:LEU231 2.9 30.7 0.5 CD A:GLU210 2.9 36.3 1.0 C07 A:HQA110 3.0 35.8 1.0 CD2 A:LEU231 3.0 25.6 0.5 C08 A:HQA110 3.0 40.0 1.0 HD21 A:LEU231 3.1 30.7 0.5 C05 A:HQA110 3.1 29.7 1.0 OE2 A:GLU210 3.2 38.6 1.0 HO09 A:HQA110 3.2 54.0 1.0 H05 A:HQA110 3.2 35.7 1.0 CD A:GLU159 3.4 27.6 0.5 OE2 A:GLU159 3.6 27.2 0.7 HG A:LEU231 3.6 31.1 0.5 HB3 A:GLU210 4.1 27.7 1.0 CG A:GLU210 4.2 27.7 1.0 O A:HOH489 4.2 52.8 1.0 OE2 A:GLU51 4.3 29.8 1.0 C13 A:HQA110 4.3 32.0 1.0 O A:HOH539 4.3 59.8 1.0 HG2 A:GLU210 4.3 33.3 1.0 HD13 A:LEU231 4.3 31.0 0.5 C10 A:HQA110 4.4 39.3 1.0 O A:HOH524 4.4 96.6 1.0 HD23 A:LEU157 4.4 28.0 1.0 C04 A:HQA110 4.4 25.4 1.0 CG A:LEU231 4.5 23.9 0.5 CG A:LEU231 4.5 25.9 0.5 CB A:GLU210 4.7 23.1 1.0 HD11 A:LEU231 4.7 27.8 0.5 CG A:GLU159 4.8 24.9 0.6 O A:HOH428 4.8 46.2 1.0 HB3 A:ALA131 4.8 28.5 1.0 H10 A:HQA110 4.8 47.2 1.0 HD13 A:LEU231 4.9 27.8 0.5 HG2 A:GLU159 4.9 29.9 0.5 C14 A:HQA110 4.9 28.6 1.0 HD21 A:LEU157 4.9 28.0 1.0 CD1 A:LEU231 4.9 25.8 0.5 HG3 A:GLU210 4.9 33.3 1.0 HG A:LEU231 4.9 28.8 0.5 HD21 A:LEU231 4.9 31.9 0.5 HB2 A:ALA131 5.0 28.5 1.0 CD1 A:LEU231 5.0 23.1 0.5 HB2 A:GLU210 5.0 27.7 1.0

P.I.Kelly, J.N.Henderson, J.H.Mills. Computational Design of A Fluorogenic Metalloprotein Containing the Non-Canonical Amino Acid 3-(8-Hydroxyquinolin-3-Yl)-L-Alanine To Be Published.