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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 7auc:

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

Magnesium Binding Sites:

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 7auc

Go back to Magnesium Binding Sites List in 7auc
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 7auc

Go back to Magnesium Binding Sites List in 7auc
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

Reference:

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
Page generated: Wed Oct 2 10:13:05 2024

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