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Magnesium in PDB 3dr1: Side-Chain Fluorine Atoms of Non-Steroidal Vitamin D3 Analogs Stabilize Helix 12 of Vitamin D Receptor

Enzymatic activity of Side-Chain Fluorine Atoms of Non-Steroidal Vitamin D3 Analogs Stabilize Helix 12 of Vitamin D Receptor

All present enzymatic activity of Side-Chain Fluorine Atoms of Non-Steroidal Vitamin D3 Analogs Stabilize Helix 12 of Vitamin D Receptor:
2.3.1.48;

Protein crystallography data

The structure of Side-Chain Fluorine Atoms of Non-Steroidal Vitamin D3 Analogs Stabilize Helix 12 of Vitamin D Receptor, PDB code: 3dr1 was solved by Y.Sato, N.Rochel, D.Moras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.70
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 66.100, 66.100, 265.600, 90.00, 90.00, 120.00
R / Rfree (%) 22.6 / 28.6

Other elements in 3dr1:

The structure of Side-Chain Fluorine Atoms of Non-Steroidal Vitamin D3 Analogs Stabilize Helix 12 of Vitamin D Receptor also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Side-Chain Fluorine Atoms of Non-Steroidal Vitamin D3 Analogs Stabilize Helix 12 of Vitamin D Receptor (pdb code 3dr1). 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 Side-Chain Fluorine Atoms of Non-Steroidal Vitamin D3 Analogs Stabilize Helix 12 of Vitamin D Receptor, PDB code: 3dr1:

Magnesium binding site 1 out of 1 in 3dr1

Go back to Magnesium Binding Sites List in 3dr1
Magnesium binding site 1 out of 1 in the Side-Chain Fluorine Atoms of Non-Steroidal Vitamin D3 Analogs Stabilize Helix 12 of Vitamin D Receptor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Side-Chain Fluorine Atoms of Non-Steroidal Vitamin D3 Analogs Stabilize Helix 12 of Vitamin D Receptor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1

b:59.6
occ:1.00
SG A:CYS388 3.0 50.8 1.0
OE1 A:GLN384 3.9 49.5 1.0
CB A:CYS388 3.9 52.2 1.0
OD1 A:ASP385 4.0 65.9 1.0
OH A:TYR406 4.3 63.7 1.0
CD A:GLN384 4.7 48.7 1.0

Reference:

G.Eelen, N.Valle, Y.Sato, N.Rochel, L.Verlinden, P.De Clercq, D.Moras, R.Bouillon, A.Munoz, A.Verstuyf. Superagonistic Fluorinated Vitamin D3 Analogs Stabilize Helix 12 of the Vitamin D Receptor. Chem.Biol. V. 15 1029 2008.
ISSN: ISSN 1074-5521
PubMed: 18940664
DOI: 10.1016/J.CHEMBIOL.2008.08.008
Page generated: Wed Aug 14 12:35:58 2024

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