Magnesium in PDB 1xhf: Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca

The structure of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca, PDB code: 1xhf was solved by A.Toro-Roman, T.R.Mack, A.M.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.15
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.169, 86.169, 213.082, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 21.2

The structure of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca also contains other interesting chemical elements:

Fluorine

(F)

15 atoms

The binding sites of Magnesium atom in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca (pdb code 1xhf). 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 BEF3-Activated Receiver Domain of Redox Response Regulator Arca, PDB code: 1xhf:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


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 BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:25.9 occ:1.00 O A:HOH2016 1.9 30.1 1.0 F1 A:BEF2001 2.0 25.4 1.0 OD2 A:ASP54 2.1 25.9 1.0 O A:ASN56 2.1 21.7 1.0 OD2 A:ASP11 2.2 24.0 1.0 O A:HOH2047 2.2 22.1 1.0 CG A:ASP54 3.1 23.4 1.0 BE A:BEF2001 3.2 27.2 1.0 CG A:ASP11 3.2 24.5 1.0 C A:ASN56 3.3 24.0 1.0 OD1 A:ASP54 3.4 23.1 1.0 OD1 A:ASP11 3.5 25.8 1.0 CB A:ASN56 3.9 28.9 1.0 O A:HOH2017 3.9 40.1 1.0 OE1 A:GLU10 3.9 27.5 1.0 CA A:ASN56 4.0 25.2 1.0 F3 A:BEF2001 4.1 26.7 1.0 N A:ASN56 4.1 23.1 1.0 F2 A:BEF2001 4.2 27.2 1.0 OE2 A:GLU12 4.3 32.4 1.0 N A:LEU57 4.3 22.0 1.0 CB A:ASP54 4.4 22.2 1.0 CG A:GLU12 4.5 29.8 1.0 O A:HOH2049 4.5 42.8 1.0 N A:ASP11 4.5 21.7 1.0 CB A:ASP11 4.6 22.5 1.0 CA A:LEU57 4.7 22.5 1.0 NZ A:LYS103 4.7 29.5 1.0 CD A:GLU12 4.7 33.6 1.0 CD2 A:LEU57 4.7 17.8 1.0 CD A:GLU10 4.8 26.7 1.0 N A:GLU12 4.8 23.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


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 BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:28.6 occ:1.00 O B:HOH4008 2.0 21.6 1.0 O B:HOH4052 2.0 34.0 1.0 OD2 B:ASP54 2.0 28.2 1.0 F1 B:BEF2002 2.0 29.4 1.0 O B:ASN56 2.0 31.1 1.0 OD2 B:ASP11 2.1 30.7 1.0 CG B:ASP54 3.0 27.3 1.0 CG B:ASP11 3.1 31.2 1.0 BE B:BEF2002 3.2 27.6 1.0 C B:ASN56 3.2 30.3 1.0 OD1 B:ASP54 3.3 27.1 1.0 OD1 B:ASP11 3.5 33.1 1.0 CB B:ASN56 3.8 33.8 1.0 CA B:ASN56 3.9 30.3 1.0 OE2 B:GLU10 3.9 25.9 1.0 N B:ASN56 4.0 27.6 1.0 F2 B:BEF2002 4.2 26.7 1.0 F3 B:BEF2002 4.2 27.1 1.0 N B:LEU57 4.3 29.1 1.0 OE2 B:GLU12 4.4 40.3 1.0 CB B:ASP54 4.4 26.7 1.0 CB B:ASP11 4.5 29.2 1.0 N B:ASP11 4.6 25.8 1.0 CA B:LEU57 4.6 30.1 1.0 CD2 B:LEU57 4.7 23.3 1.0 CD B:GLU10 4.7 27.1 1.0 NZ B:LYS103 4.8 29.2 1.0 CG B:GLU12 4.8 37.4 1.0 OE1 B:GLU10 4.8 28.2 1.0 C B:ILE55 5.0 25.6 1.0

A.Toro-Roman, T.R.Mack, A.M.Stock. Structural Analysis and Solution Studies of the Activated Regulatory Domain of the Response Regulator Arca: A Symmetric Dimer Mediated By the ALPHA4-BETA5-ALPHA5 Face J.Mol.Biol. V. 349 11 2005.
ISSN: ISSN 0022-2836
PubMed: 15876365
DOI: 10.1016/J.JMB.2005.03.059