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

Enzymatic activity of Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm)

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

Protein crystallography data

The structure of Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm), PDB code: 7aud 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) 47.28 / 2.96
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 84.916, 111.709, 132.344, 72.64, 80.18, 79.22
R / Rfree (%) 22.9 / 26.9

Other elements in 7aud:

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

Zinc (Zn) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) (pdb code 7aud). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm), PDB code: 7aud:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 7aud

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Magnesium binding site 1 out of 6 in the 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 Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) within 5.0Å range:

Magnesium binding site 2 out of 6 in 7aud

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Magnesium binding site 2 out of 6 in the 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 Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mg100

b:69.3
occ:1.00
N2 M:DG11 3.0 84.4 1.0
N1 M:DG11 3.4 76.0 1.0
OH E:TYR1237 3.5 91.2 1.0
C2 M:DG11 3.7 75.7 1.0
O4 M:DT10 4.3 81.4 1.0
CZ E:TYR1237 4.5 90.4 1.0
C6 M:DG11 4.6 79.9 1.0
CE1 E:TYR1237 4.7 90.0 1.0
O6 M:DG11 4.8 85.4 1.0
N3 M:DG11 5.0 74.0 1.0

Magnesium binding site 3 out of 6 in 7aud

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Magnesium binding site 3 out of 6 in the 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 3 of Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Mg101

b:69.8
occ:1.00
N2 N:DG11 3.4 72.4 1.0
N1 N:DG11 3.7 81.3 1.0
C2 N:DG11 4.0 75.2 1.0
O4 N:DT10 4.5 75.4 1.0
C6 N:DG11 4.8 78.2 1.0
O6 N:DG11 5.0 77.4 1.0

Magnesium binding site 4 out of 6 in 7aud

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Magnesium binding site 4 out of 6 in the 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 4 of Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Mg101

b:67.7
occ:1.00
N1 P:DG11 3.8 84.2 1.0
N2 P:DG11 3.8 92.5 1.0
C2 P:DG11 4.3 87.4 1.0
C6 P:DG11 4.8 83.5 1.0
O6 P:DG11 4.8 85.4 1.0

Magnesium binding site 5 out of 6 in 7aud

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Magnesium binding site 5 out of 6 in the 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 5 of Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Mg101

b:79.6
occ:1.00
OP2 Q:DC6 2.8 0.7 1.0
OP1 Q:DC5 3.5 0.4 1.0
C5' Q:DC5 3.9 0.6 1.0
O5' Q:DC5 4.0 0.4 1.0
P Q:DC5 4.0 1.0 1.0
P Q:DC6 4.0 0.2 1.0
OP2 Q:DC5 4.1 0.3 1.0
O5' Q:DC6 4.1 89.2 1.0
C6 Q:DC6 4.4 0.9 1.0
C5 Q:DC6 4.5 0.8 1.0
C3' Q:DC5 4.8 0.7 1.0
OP1 Q:DC7 4.9 84.0 1.0
O3' Q:DC5 4.9 0.4 1.0
C4' Q:DC5 4.9 0.7 1.0

Magnesium binding site 6 out of 6 in 7aud

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Magnesium binding site 6 out of 6 in the 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 6 of Structure of An Engineered Helicase Domain Construct For Human Bloom Syndrome Protein (Blm) within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Mg102

b:77.7
occ:1.00
OH A:TYR1237 3.6 0.5 1.0
N1 Q:DG11 3.7 92.0 1.0
N2 Q:DG11 3.7 0.7 1.0
C2 Q:DG11 4.2 93.7 1.0
NZ A:LYS1227 4.3 91.8 1.0
O4 Q:DT10 4.7 90.2 1.0
CZ A:TYR1237 4.7 98.5 1.0
C6 Q:DG11 4.7 89.5 1.0
O6 Q:DG11 4.8 87.8 1.0
CE A:LYS1227 4.8 97.1 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: Thu Dec 17 12:41:42 2020

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