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Magnesium in PDB 6u8u: Rna Duplex Bound with Tna 3'-3' Imidazolium Dimer

Protein crystallography data

The structure of Rna Duplex Bound with Tna 3'-3' Imidazolium Dimer, PDB code: 6u8u was solved by J.W.Szostak, W.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.40
Space group P 3 2 1
Cell size a, b, c (Å), α, β, γ (°) 43.956, 43.956, 84.516, 90.00, 90.00, 120.00
R / Rfree (%) 21.6 / 26.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Rna Duplex Bound with Tna 3'-3' Imidazolium Dimer (pdb code 6u8u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Rna Duplex Bound with Tna 3'-3' Imidazolium Dimer, PDB code: 6u8u:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6u8u

Go back to Magnesium Binding Sites List in 6u8u
Magnesium binding site 1 out of 2 in the Rna Duplex Bound with Tna 3'-3' Imidazolium Dimer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Rna Duplex Bound with Tna 3'-3' Imidazolium Dimer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg101

b:65.8
occ:1.00
O A:HOH205 1.9 38.2 1.0
O A:HOH206 2.1 59.6 1.0
O A:HOH202 2.1 62.2 1.0
O A:HOH201 3.1 54.3 1.0
N4 A:C6 3.9 49.3 1.0
C4 A:C6 5.0 55.3 1.0

Magnesium binding site 2 out of 2 in 6u8u

Go back to Magnesium Binding Sites List in 6u8u
Magnesium binding site 2 out of 2 in the Rna Duplex Bound with Tna 3'-3' Imidazolium Dimer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Rna Duplex Bound with Tna 3'-3' Imidazolium Dimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg101

b:42.2
occ:1.00
O B:HOH204 1.9 59.4 1.0
O B:HOH203 2.0 46.6 1.0
O A:HOH203 2.2 51.1 1.0
O B:HOH201 2.2 53.8 1.0
N4 B:C6 3.5 40.6 1.0
O4 B:U7 4.6 46.1 1.0
N6 A:A10 4.6 51.2 1.0
C4 B:C6 4.7 45.0 1.0

Reference:

W.Zhang, S.C.Kim, C.P.Tam, V.S.Lelyveld, S.Bala, J.C.Chaput, J.W.Szostak. Structural Interpretation of the Effects of Threo-Nucleotides on Nonenzymatic Template-Directed Polymerization Nucleic Acids Res. 2020.
ISSN: ESSN 1362-4962
Page generated: Tue Oct 1 20:51:27 2024

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