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Magnesium in PDB 7oaw: Crystal Structure of the Chili Rna Aptamer in Complex with Dmhbi+

Protein crystallography data

The structure of Crystal Structure of the Chili Rna Aptamer in Complex with Dmhbi+, PDB code: 7oaw was solved by M.Mieczkowski, V.Pena, C.Hoebartner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.44 / 2.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.071, 100.031, 113.865, 90, 90, 90
R / Rfree (%) 21.8 / 26.5

Other elements in 7oaw:

The structure of Crystal Structure of the Chili Rna Aptamer in Complex with Dmhbi+ also contains other interesting chemical elements:

Potassium (K) 12 atoms
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Chili Rna Aptamer in Complex with Dmhbi+ (pdb code 7oaw). 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 the Chili Rna Aptamer in Complex with Dmhbi+, PDB code: 7oaw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7oaw

Go back to Magnesium Binding Sites List in 7oaw
Magnesium binding site 1 out of 2 in the Crystal Structure of the Chili Rna Aptamer in Complex with Dmhbi+


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 the Chili Rna Aptamer in Complex with Dmhbi+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg106

b:101.8
occ:1.00
O2A A:GTP101 2.4 193.0 1.0
PA A:GTP101 3.7 191.9 1.0
O1G A:GTP101 3.8 197.3 1.0
O3G A:GTP101 4.2 199.6 1.0
O1A A:GTP101 4.2 191.9 1.0
O5' A:GTP101 4.3 188.6 1.0
PG A:GTP101 4.6 200.1 1.0
O2B A:GTP101 4.6 196.6 1.0
O3A A:GTP101 5.0 196.0 1.0

Magnesium binding site 2 out of 2 in 7oaw

Go back to Magnesium Binding Sites List in 7oaw
Magnesium binding site 2 out of 2 in the Crystal Structure of the Chili Rna Aptamer in Complex with Dmhbi+


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 the Chili Rna Aptamer in Complex with Dmhbi+ within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg106

b:123.3
occ:1.00
N7 D:GTP103 2.1 127.5 1.0
O3G D:GTP103 2.7 170.3 1.0
C8 D:GTP103 2.9 129.1 1.0
C5 D:GTP103 3.3 131.3 1.0
O6 D:GTP103 3.6 137.7 1.0
C6 D:GTP103 3.9 136.5 1.0
O3A D:GTP103 3.9 164.9 1.0
PG D:GTP103 4.0 168.1 1.0
O2B D:GTP103 4.0 168.5 1.0
N9 D:GTP103 4.1 130.7 1.0
O1G D:GTP103 4.2 167.7 1.0
C4 D:GTP103 4.3 132.2 1.0
PB D:GTP103 4.5 168.6 1.0
O3B D:GTP103 4.8 167.1 1.0
O1A D:GTP103 4.8 156.9 1.0

Reference:

M.Mieczkowski, C.Steinmetzger, I.Bessi, A.K.Lenz, A.Schmiedel, M.Holzapfel, C.Lambert, V.Pena, C.Hoebartner. Large Stokes Shift Fluorescence Activation in An Rna Aptamer By Intermolecular Proton Transfer to Guanine Nat Commun 2021.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-021-23932-0
Page generated: Thu Oct 3 02:52:00 2024

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