Magnesium in PDB 7auc: Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm)

All present enzymatic activity of Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm):
3.6.4.12;

The structure of Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm), PDB code: 7auc was solved by X.Chen, A.W.Oliver, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.23 / 1.53
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.280, 107.690, 55.200, 90.00, 109.31, 90.00
R / Rfree (%)	18.9 / 20.8

The structure of Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Calcium	(Ca)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) (pdb code 7auc). 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 An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm), PDB code: 7auc:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm)


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 An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1515 b:19.2 occ:1.00 O1B A:ADP1514 2.2 20.2 1.0 O A:HOH2002 2.2 27.7 1.0 O A:HOH1687 2.2 23.4 1.0 O A:HOH1630 2.2 22.7 1.0 O A:HOH1674 2.2 23.2 1.0 O A:HOH1605 2.3 21.8 1.0 PB A:ADP1514 3.4 19.5 1.0 O2B A:ADP1514 3.7 19.7 1.0 OG A:SER696 4.1 20.5 1.0 O2A A:ADP1514 4.2 20.7 1.0 O A:HOH1914 4.2 43.5 1.0 O A:HOH1616 4.2 25.5 1.0 O A:HOH1662 4.3 21.8 1.0 CD1 A:LEU719 4.4 27.5 1.0 OE2 A:GLU796 4.4 25.5 1.0 OD1 A:ASP795 4.4 23.4 1.0 O3A A:ADP1514 4.4 19.6 1.0 O A:HOH1940 4.4 32.1 1.0 OD2 A:ASP795 4.5 25.1 1.0 CE A:LYS695 4.5 21.1 1.0 O3B A:ADP1514 4.6 18.8 1.0 PA A:ADP1514 4.6 19.9 1.0 NE2 A:GLN723 4.7 25.0 1.0 O1A A:ADP1514 4.7 19.9 1.0 CG A:LEU719 4.7 26.4 1.0 CD A:ARG982 4.7 21.6 1.0 O A:HOH1986 4.9 34.8 1.0 CG A:ASP795 4.9 24.2 1.0 NZ A:LYS695 5.0 19.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm)


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 An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1516 b:27.8 occ:1.00 O A:HOH1722 2.1 47.1 1.0 OD2 A:ASP684 2.2 31.0 1.0 O A:LEU848 2.3 29.6 1.0 O A:HOH1888 2.5 38.8 1.0 O A:HOH1772 2.6 34.1 1.0 O A:HOH1956 3.1 61.5 1.0 CG A:ASP684 3.4 29.8 1.0 C A:LEU848 3.5 29.1 1.0 CB A:ASP684 4.0 26.0 1.0 CA A:LEU848 4.1 29.2 1.0 O A:ARG849 4.3 27.7 1.0 CB A:LEU848 4.3 29.5 1.0 N A:ASP684 4.3 24.7 1.0 OD1 A:ASP684 4.4 29.3 1.0 N A:ARG849 4.6 28.4 1.0 C A:ARG849 4.7 28.1 1.0 CA A:ASP684 4.8 24.9 1.0 CB A:ARG849 5.0 31.9 1.0 OE1 A:GLU683 5.0 38.1 1.0 CA A:ARG849 5.0 29.1 1.0

X.Chen, Y.Ali, C.E.L.Fisher, R.Arribas-Bosacoma, M.B.Rajasekaran, G.Williams, S.Walker, S.M.Roe, L.H.Pearl, S.E.Ward, F.M.G.Pearl, A.W.Oliver. Uncovering An Allosteric Mode of Action For A Selective Inhibitor of Human Bloom Syndrome Protein Biorxiv 2020.
DOI: 10.1101/2020.11.30.403493