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Magnesium in PDB 3nns: BEF3 Activated Drrb Receiver Domain

Protein crystallography data

The structure of BEF3 Activated Drrb Receiver Domain, PDB code: 3nns was solved by V.L.Robinson, A.M.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 64.320, 37.492, 91.478, 90.00, 108.15, 90.00
R / Rfree (%) 18.9 / 23.1

Other elements in 3nns:

The structure of BEF3 Activated Drrb Receiver Domain also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the BEF3 Activated Drrb Receiver Domain (pdb code 3nns). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the BEF3 Activated Drrb Receiver Domain, PDB code: 3nns:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3nns

Go back to Magnesium Binding Sites List in 3nns
Magnesium binding site 1 out of 2 in the BEF3 Activated Drrb Receiver Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of BEF3 Activated Drrb Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:34.7
occ:1.00
O A:HOH283 1.9 22.9 1.0
O A:HOH317 2.0 16.1 1.0
OD2 A:ASP10 2.0 16.0 1.0
OD1 A:ASP50 2.0 16.2 1.0
F1 A:BEF402 2.3 31.7 1.0
O A:MSE52 2.4 21.9 1.0
CG A:ASP10 2.8 16.8 1.0
OD1 A:ASP10 3.0 15.8 1.0
CG A:ASP50 3.1 14.1 1.0
BE A:BEF402 3.3 29.2 1.0
OD2 A:ASP50 3.5 14.2 1.0
C A:MSE52 3.5 21.5 1.0
OD2 A:ASP9 3.9 16.7 1.0
F3 A:BEF402 4.2 33.9 1.0
CB A:ASP10 4.2 15.7 1.0
N A:ASP10 4.2 14.1 1.0
CB A:MSE52 4.3 29.2 1.0
CA A:MSE52 4.4 23.7 1.0
CB A:ASP50 4.4 13.6 1.0
F2 A:BEF402 4.4 33.6 1.0
N A:LEU53 4.5 20.5 1.0
CG A:ASP9 4.5 15.4 1.0
CD2 A:LEU53 4.5 18.7 1.0
CA A:LEU53 4.6 19.4 1.0
N A:MSE52 4.6 20.4 1.0
OD1 A:ASP9 4.7 13.1 1.0
NZ A:LYS100 4.7 11.1 1.0
CA A:ASP10 4.8 16.6 1.0
N A:ASP11 4.9 17.7 1.0

Magnesium binding site 2 out of 2 in 3nns

Go back to Magnesium Binding Sites List in 3nns
Magnesium binding site 2 out of 2 in the BEF3 Activated Drrb Receiver Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of BEF3 Activated Drrb Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:26.1
occ:1.00
OD1 B:ASP50 1.9 20.4 1.0
F1 B:BEF502 2.0 28.5 1.0
O B:MSE52 2.3 18.5 1.0
O B:HOH284 2.3 19.3 1.0
O B:HOH285 2.4 18.7 1.0
OD2 B:ASP10 2.5 25.4 1.0
CG B:ASP50 2.9 18.7 1.0
BE B:BEF502 2.9 24.8 1.0
OD2 B:ASP50 3.1 14.8 1.0
C B:MSE52 3.3 20.1 1.0
CG B:ASP10 3.4 20.8 1.0
OD1 B:ASP10 3.6 22.5 1.0
CB B:MSE52 3.9 22.2 1.0
F2 B:BEF502 3.9 27.4 1.0
F3 B:BEF502 3.9 29.1 1.0
CA B:MSE52 4.0 19.0 1.0
OD2 B:ASP9 4.1 15.7 1.0
N B:MSE52 4.1 16.5 1.0
CB B:ASP50 4.2 14.5 1.0
O B:HOH220 4.4 32.3 1.0
N B:LEU53 4.4 19.1 1.0
CA B:LEU53 4.7 19.0 1.0
CG B:ASP9 4.7 15.2 1.0
NZ B:LYS100 4.8 9.8 1.0
N B:ASP10 4.8 13.4 1.0
CB B:ASP10 4.8 19.5 1.0
OD1 B:ASP9 4.9 15.3 1.0
CD2 B:LEU53 5.0 16.2 1.0

Reference:

C.M.Barbieri, T.R.Mack, V.L.Robinson, M.T.Miller, A.M.Stock. Regulation of Response Regulator Autophosphorylation Through Interdomain Contacts. J.Biol.Chem. V. 285 32325 2010.
ISSN: ISSN 0021-9258
PubMed: 20702407
DOI: 10.1074/JBC.M110.157164
Page generated: Mon Dec 14 08:29:14 2020

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