Magnesium in PDB 3olv: Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88V-BEF3-Mg Complex

The structure of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88V-BEF3-Mg Complex, PDB code: 3olv was solved by R.M.Immormino, R.B.Bourret, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.80 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.477, 44.799, 48.069, 69.23, 68.01, 66.16
R / Rfree (%)	17.4 / 20.9

The structure of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88V-BEF3-Mg Complex also contains other interesting chemical elements:

Fluorine

(F)

18 atoms

The binding sites of Magnesium atom in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88V-BEF3-Mg Complex (pdb code 3olv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88V-BEF3-Mg Complex, PDB code: 3olv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88V-BEF3-Mg Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88V-BEF3-Mg Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg130 b:19.7 occ:1.00 OD2 A:ASP57 2.1 21.9 1.0 OD1 A:ASP13 2.2 21.3 1.0 O A:HOH137 2.2 23.8 1.0 O A:HOH136 2.2 22.7 1.0 F2 A:BEF131 2.2 22.9 1.0 O A:ASN59 2.3 22.8 1.0 CG A:ASP57 3.1 23.9 1.0 CG A:ASP13 3.2 31.3 1.0 BE A:BEF131 3.3 23.5 1.0 C A:ASN59 3.4 25.4 1.0 OD1 A:ASP57 3.5 21.4 1.0 OD2 A:ASP13 3.6 29.0 1.0 OD1 A:ASP12 3.9 20.1 1.0 CB A:ASN59 4.0 21.9 1.0 CA A:ASN59 4.1 23.5 1.0 CD2 A:PHE14 4.1 25.8 1.0 F3 A:BEF131 4.2 22.3 1.0 O A:HOH227 4.2 38.4 1.0 F1 A:BEF131 4.2 24.5 1.0 CG A:MET60 4.3 22.5 1.0 N A:ASN59 4.3 21.4 1.0 N A:ASP13 4.4 20.1 1.0 CE2 A:PHE14 4.4 20.6 1.0 CB A:ASP57 4.4 19.4 1.0 N A:MET60 4.5 21.7 1.0 CB A:ASP13 4.5 26.6 1.0 CG A:ASP12 4.6 22.8 1.0 CA A:MET60 4.8 25.2 1.0 OD2 A:ASP12 4.9 22.2 1.0 CA A:ASP13 4.9 23.5 1.0 N A:PHE14 4.9 22.1 1.0 NZ A:LYS109 5.0 20.5 1.0

Magnesium binding site 2 out of 2 in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88V-BEF3-Mg Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88V-BEF3-Mg Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg130 b:23.6 occ:1.00 OD2 B:ASP57 2.1 23.2 1.0 OD1 B:ASP13 2.2 24.7 1.0 O B:HOH135 2.2 22.6 1.0 F3 B:BEF131 2.2 26.6 1.0 O B:HOH159 2.2 28.2 1.0 O B:ASN59 2.3 23.7 1.0 CG B:ASP57 3.1 23.8 1.0 CG B:ASP13 3.2 32.7 1.0 BE B:BEF131 3.3 23.0 1.0 C B:ASN59 3.4 23.5 1.0 OD1 B:ASP57 3.5 24.7 1.0 OD2 B:ASP13 3.5 28.3 1.0 OD1 B:ASP12 3.9 22.9 1.0 CB B:ASN59 4.0 24.8 1.0 CA B:ASN59 4.1 23.4 1.0 F1 B:BEF131 4.1 24.5 1.0 O B:HOH144 4.2 42.8 1.0 CD2 B:PHE14 4.2 22.7 1.0 F2 B:BEF131 4.2 25.1 1.0 CG B:MET60 4.2 23.6 1.0 N B:ASN59 4.3 23.1 1.0 CB B:ASP57 4.4 20.8 1.0 N B:ASP13 4.4 20.1 1.0 N B:MET60 4.5 23.6 1.0 CB B:ASP13 4.5 25.1 1.0 CE2 B:PHE14 4.5 22.9 1.0 CG B:ASP12 4.7 24.3 1.0 CA B:MET60 4.8 25.5 1.0 NZ B:LYS109 4.9 23.1 1.0 OD2 B:ASP12 4.9 21.9 1.0 CA B:ASP13 4.9 22.3 1.0 N B:PHE14 4.9 23.7 1.0

R.M.Immormino, R.E.Silversmith, R.B.Bourret. A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation. Biochemistry V. 55 5595 2016.
ISSN: ISSN 0006-2960
PubMed: 27589219
DOI: 10.1021/ACS.BIOCHEM.6B00645