Magnesium in PDB 1nu4: U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix

The structure of U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix, PDB code: 1nu4 was solved by P.B.Rupert, H.Xiao, A.R.Ferre-D'amare, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.16 / 1.80
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	91.819, 91.819, 120.448, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 23.4

The binding sites of Magnesium atom in the U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix (pdb code 1nu4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix, PDB code: 1nu4:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:22.3 occ:0.33 O A:ARG70 2.4 22.3 1.0 O A:HOH202 2.5 22.1 1.0 O A:HOH241 3.3 41.3 0.3 C A:ARG70 3.6 22.3 1.0 CA A:SER71 4.3 23.0 1.0 N A:SER71 4.4 25.3 1.0 O A:SER71 4.5 23.4 1.0 C A:SER71 4.6 25.4 1.0 CA A:ARG70 4.7 20.9 1.0 CB A:GLN73 4.9 22.1 1.0

Magnesium binding site 2 out of 5 in the U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:55.4 occ:0.50 O A:HOH284 1.9 75.7 1.0 OD1 A:ASP42 2.2 39.1 1.0 O A:HOH283 2.5 78.2 1.0 CG A:ASP42 3.1 38.0 1.0 OD2 A:ASP42 3.4 36.4 1.0 NZ A:LYS27 4.0 56.4 1.0 O A:ILE43 4.1 34.1 1.0 CB A:ASP42 4.4 33.6 1.0 N A:ILE43 4.5 28.6 1.0 CE A:LYS27 4.7 57.8 1.0 CA A:ASP42 4.7 34.4 1.0 C2 A:MLA408 4.9 96.0 1.0 O1B A:MLA408 4.9 98.6 1.0

Magnesium binding site 3 out of 5 in the U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:24.7 occ:0.33 O B:HOH218 2.3 18.5 1.0 O B:ARG70 2.6 20.7 1.0 C B:ARG70 3.8 25.1 1.0 O B:SER71 4.5 21.0 1.0 CA B:SER71 4.5 18.4 1.0 N B:SER71 4.6 18.5 1.0 C B:SER71 4.6 17.7 1.0 CB B:GLN73 4.7 19.0 1.0 CA B:ARG70 4.7 19.6 1.0 O B:HOH213 4.7 25.8 0.3 O B:GLN73 4.8 19.0 1.0

Magnesium binding site 4 out of 5 in the U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:89.8 occ:0.50 O B:HOH260 2.7 58.2 1.0 OD1 B:ASP42 3.8 40.2 1.0 OD2 B:ASP42 4.2 42.8 1.0 CG B:ASP42 4.3 39.5 1.0 O B:HOH235 4.6 55.8 1.0 NZ B:LYS98 4.7 78.0 1.0

Magnesium binding site 5 out of 5 in the U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of U1A Rna Binding Domain at 1.8 Angstrom Resolution Reveals A Pre- Organized C-Terminal Helix within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg505 b:58.1 occ:1.00 OD2 B:ASP24 2.5 70.1 1.0 O1A B:MLA405 2.8 72.8 1.0 CG B:ASP24 3.0 63.1 1.0 N B:ASP24 3.0 48.4 1.0 CB B:ASP24 3.1 55.0 1.0 CB B:LYS22 3.6 48.8 1.0 CA B:ASP24 3.6 49.1 1.0 N B:LYS23 3.7 40.5 1.0 NH2 B:ARG47 3.8 78.9 1.0 C1 B:MLA405 3.9 76.0 1.0 C B:LYS22 4.0 42.0 1.0 OD1 B:ASP24 4.0 64.6 1.0 C B:LYS23 4.0 47.5 1.0 CA B:LYS23 4.2 44.6 1.0 CA B:LYS22 4.3 43.1 1.0 CB B:LYS23 4.3 47.2 1.0 O1B B:MLA405 4.4 72.3 1.0 N B:GLU25 4.5 41.5 1.0 CG B:LYS22 4.5 57.2 1.0 O B:LYS22 4.5 41.1 1.0 CD B:LYS22 4.5 61.3 1.0 C B:ASP24 4.6 46.3 1.0 CZ B:ARG47 4.9 79.3 1.0 NE B:ARG47 5.0 79.2 1.0

P.B.Rupert, H.Xiao, A.R.Ferre-D'amare. U1A Rna-Binding Domain at 1.8 A Resolution. Acta Crystallogr.,Sect.D V. 59 1521 2003.
ISSN: ISSN 0907-4449
PubMed: 12876372
DOI: 10.1107/S0907444903011338