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Magnesium in PDB 3rvp: Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K

Protein crystallography data

The structure of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K, PDB code: 3rvp was solved by C.A.Starbird, R.M.Immormino, R.E.Silversmith, R.B.Bourret, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.58 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.487, 53.626, 160.416, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 21.5

Other elements in 3rvp:

The structure of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Manganese (Mn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K (pdb code 3rvp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K, PDB code: 3rvp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3rvp

Go back to Magnesium Binding Sites List in 3rvp
Magnesium binding site 1 out of 2 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg141

b:56.2
occ:1.00
OE2 A:GLU37 3.6 53.4 1.0
OD1 A:ASP41 3.9 40.0 1.0
O A:HOH175 4.0 34.6 1.0
O3 A:GOL140 4.1 46.0 1.0
O A:HOH171 4.3 34.0 1.0
CG A:ASP41 4.3 36.7 1.0
CD A:GLU37 4.4 49.8 1.0
OD2 A:ASP41 4.4 39.3 1.0
C3 A:GOL140 4.7 49.6 1.0
CG A:GLU37 4.9 43.0 1.0

Magnesium binding site 2 out of 2 in 3rvp

Go back to Magnesium Binding Sites List in 3rvp
Magnesium binding site 2 out of 2 in the Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Chey-BEF3 Complex with Substitutions at 59 and 89: N59D and E89K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg140

b:47.9
occ:1.00
O2 B:SO4134 3.0 52.2 1.0
N B:GLU93 3.3 26.7 1.0
O3 B:SO4134 3.3 59.0 1.0
CG B:GLU93 3.3 45.5 1.0
N B:LYS92 3.5 40.8 1.0
CB B:LYS92 3.5 33.9 1.0
OE1 B:GLU93 3.6 60.9 1.0
S B:SO4134 3.7 66.7 1.0
CA B:LYS92 3.9 36.2 1.0
CB B:GLU93 3.9 34.3 1.0
CD B:GLU93 3.9 60.1 1.0
CB B:LYS91 3.9 37.0 1.0
C B:LYS92 4.1 33.1 1.0
CA B:GLU93 4.2 37.5 1.0
C B:LYS91 4.2 37.5 1.0
O A:HOH238 4.4 29.9 1.0
CE B:LYS92 4.4 38.3 1.0
CA B:LYS91 4.4 36.2 1.0
NZ B:LYS92 4.5 25.8 1.0
O4 B:SO4134 4.6 81.6 1.0
CE B:LYS91 4.6 56.7 1.0
CG B:LYS92 4.7 37.9 1.0
CG B:LYS91 4.8 40.4 1.0
O1 B:SO4134 4.8 59.6 1.0

Reference:

R.M.Immormino, C.A.Starbird, R.E.Silversmith, R.B.Bourret. Probing Mechanistic Similarities Between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases. Biochemistry V. 54 3514 2015.
ISSN: ISSN 0006-2960
PubMed: 25928369
DOI: 10.1021/ACS.BIOCHEM.5B00286
Page generated: Mon Dec 14 08:47:04 2020

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