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Fluorine in PDB 3nnn: BEF3 Activated Drrd Receiver Domain

Protein crystallography data

The structure of BEF3 Activated Drrd Receiver Domain, PDB code: 3nnn 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 / 2.20
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 74.951, 74.951, 98.689, 90.00, 90.00, 90.00
R / Rfree (%) 22.1 / 26.7

Other elements in 3nnn:

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

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the BEF3 Activated Drrd Receiver Domain (pdb code 3nnn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the BEF3 Activated Drrd Receiver Domain, PDB code: 3nnn:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3nnn

Go back to Fluorine Binding Sites List in 3nnn
Fluorine binding site 1 out of 6 in the BEF3 Activated Drrd Receiver Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of BEF3 Activated Drrd Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:28.6
occ:1.00
 F1 A:BEF402 0.0 28.6 1.0
BE A:BEF402 1.5 26.8 1.0
MG A:MG401 2.1 30.7 1.0
F2 A:BEF402 2.4 30.9 1.0
F3 A:BEF402 2.4 28.3 1.0
OD1 A:ASP53 2.8 22.7 1.0
O A:HOH281 2.9 43.3 1.0
OD2 A:ASP53 2.9 27.2 1.0
O A:MET55 3.0 31.1 1.0
CB A:MET55 3.1 32.6 1.0
CG A:ASP53 3.2 24.4 1.0
O A:HOH283 3.2 27.6 1.0
N A:MET55 3.4 27.1 1.0
CA A:MET55 3.5 30.5 1.0
C A:MET55 3.6 30.6 1.0
CG A:MET55 4.0 36.8 1.0
OD1 A:ASP10 4.0 34.3 1.0
C A:ILE54 4.4 27.1 1.0
SD A:MET55 4.4 43.4 1.0
OG1 A:THR81 4.4 31.3 1.0
N A:ILE54 4.4 24.1 1.0
NZ A:LYS103 4.5 22.3 1.0
CB A:ASP53 4.7 22.8 1.0
CA A:ILE54 4.9 25.8 1.0
CG A:ASP10 4.9 33.5 1.0
N A:LEU56 4.9 31.5 1.0
OD2 A:ASP10 5.0 36.6 1.0

Fluorine binding site 2 out of 6 in 3nnn

Go back to Fluorine Binding Sites List in 3nnn
Fluorine binding site 2 out of 6 in the BEF3 Activated Drrd Receiver Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of BEF3 Activated Drrd Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:30.9
occ:1.00
 F2 A:BEF402 0.0 30.9 1.0
BE A:BEF402 1.5 26.8 1.0
OG1 A:THR81 2.1 31.3 1.0
F1 A:BEF402 2.4 28.6 1.0
F3 A:BEF402 2.5 28.3 1.0
OD2 A:ASP53 2.7 27.2 1.0
N A:MET55 2.8 27.1 1.0
N A:ILE54 2.9 24.1 1.0
CB A:ILE54 3.1 26.7 1.0
CB A:THR81 3.2 26.3 1.0
CA A:ILE54 3.3 25.8 1.0
C A:ILE54 3.5 27.1 1.0
CG A:ASP53 3.5 24.4 1.0
CA A:THR81 3.7 24.4 1.0
CB A:MET55 3.8 32.6 1.0
CA A:MET55 3.8 30.5 1.0
CD1 A:LEU83 3.9 31.3 1.0
OD1 A:ASP53 3.9 22.7 1.0
N A:ALA82 3.9 25.5 1.0
CG A:MET55 3.9 36.8 1.0
CG1 A:ILE54 3.9 26.3 1.0
C A:ASP53 4.1 24.4 1.0
CG2 A:ILE54 4.2 27.0 1.0
MG A:MG401 4.3 30.7 1.0
C A:THR81 4.3 25.4 1.0
O A:MET55 4.5 31.1 1.0
CG2 A:THR81 4.5 23.9 1.0
CA A:ASP53 4.5 23.0 1.0
SD A:MET55 4.6 43.4 1.0
C A:MET55 4.6 30.6 1.0
CB A:ASP53 4.6 22.8 1.0
O A:ILE54 4.7 25.6 1.0
O A:LEU80 4.7 25.3 1.0
N A:LEU83 4.8 27.7 1.0
N A:THR81 4.9 23.8 1.0

Fluorine binding site 3 out of 6 in 3nnn

Go back to Fluorine Binding Sites List in 3nnn
Fluorine binding site 3 out of 6 in the BEF3 Activated Drrd Receiver Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of BEF3 Activated Drrd Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:28.3
occ:1.00
 F3 A:BEF402 0.0 28.3 1.0
BE A:BEF402 1.5 26.8 1.0
OD2 A:ASP53 2.3 27.2 1.0
F1 A:BEF402 2.4 28.6 1.0
F2 A:BEF402 2.5 30.9 1.0
NZ A:LYS103 2.8 22.3 1.0
N A:ALA82 2.9 25.5 1.0
CA A:THR81 3.2 24.4 1.0
OG1 A:THR81 3.3 31.3 1.0
CE A:LYS103 3.4 22.6 1.0
CG A:ASP53 3.4 24.4 1.0
C A:THR81 3.5 25.4 1.0
OD1 A:ASP53 3.8 22.7 1.0
CB A:THR81 3.8 26.3 1.0
CD A:LYS103 3.8 22.0 1.0
O A:HOH283 3.9 27.6 1.0
CB A:ALA82 3.9 25.1 1.0
MG A:MG401 3.9 30.7 1.0
CA A:ALA82 4.0 26.5 1.0
O A:LEU80 4.2 25.3 1.0
N A:THR81 4.4 23.8 1.0
N A:ILE54 4.6 24.1 1.0
CB A:ASP53 4.7 22.8 1.0
O A:THR81 4.7 23.5 1.0
C A:LEU80 4.7 24.7 1.0
OE1 A:GLU9 4.8 31.6 1.0
CG A:LYS103 4.8 22.9 1.0
O A:HOH281 4.9 43.3 1.0
N A:MET55 4.9 27.1 1.0

Fluorine binding site 4 out of 6 in 3nnn

Go back to Fluorine Binding Sites List in 3nnn
Fluorine binding site 4 out of 6 in the BEF3 Activated Drrd Receiver Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of BEF3 Activated Drrd Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F402

b:28.9
occ:1.00
 F1 B:BEF402 0.0 28.9 1.0
BE B:BEF402 1.5 27.5 1.0
MG B:MG401 2.1 27.4 1.0
F2 B:BEF402 2.4 30.5 1.0
F3 B:BEF402 2.4 27.2 1.0
OD2 B:ASP53 2.5 26.1 1.0
O B:HOH282 2.9 27.0 1.0
OD1 B:ASP53 2.9 28.5 1.0
O B:MET55 3.0 27.7 1.0
CG B:ASP53 3.1 28.7 1.0
O B:HOH280 3.2 28.0 1.0
CB B:MET55 3.2 26.6 1.0
N B:MET55 3.4 26.1 1.0
CA B:MET55 3.6 25.7 1.0
C B:MET55 3.7 25.6 1.0
O B:HOH338 4.0 32.7 1.0
OD1 B:ASP10 4.0 41.0 1.0
CG B:MET55 4.2 24.8 1.0
NZ B:LYS103 4.2 31.3 1.0
N B:ILE54 4.4 24.8 1.0
C B:ILE54 4.5 25.0 1.0
CB B:ASP53 4.6 25.9 1.0
OG1 B:THR81 4.9 21.4 1.0
OE2 B:GLU9 4.9 40.8 1.0
CA B:ILE54 4.9 23.3 1.0
N B:LEU56 5.0 27.2 1.0
CG B:ASP10 5.0 39.2 1.0
N B:ALA82 5.0 21.2 1.0

Fluorine binding site 5 out of 6 in 3nnn

Go back to Fluorine Binding Sites List in 3nnn
Fluorine binding site 5 out of 6 in the BEF3 Activated Drrd Receiver Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of BEF3 Activated Drrd Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F402

b:30.5
occ:1.00
 F2 B:BEF402 0.0 30.5 1.0
BE B:BEF402 1.5 27.5 1.0
F1 B:BEF402 2.4 28.9 1.0
F3 B:BEF402 2.5 27.2 1.0
N B:MET55 2.6 26.1 1.0
OD2 B:ASP53 2.7 26.1 1.0
OG1 B:THR81 2.7 21.4 1.0
N B:ILE54 3.0 24.8 1.0
CB B:ILE54 3.3 25.0 1.0
CA B:ILE54 3.4 23.3 1.0
C B:ILE54 3.4 25.0 1.0
CB B:THR81 3.5 20.9 1.0
CB B:MET55 3.5 26.6 1.0
CA B:MET55 3.6 25.7 1.0
CG B:MET55 3.7 24.8 1.0
CG B:ASP53 3.7 28.7 1.0
N B:ALA82 4.0 21.2 1.0
CA B:THR81 4.0 22.4 1.0
C B:ASP53 4.2 24.9 1.0
OD1 B:ASP53 4.2 28.5 1.0
MG B:MG401 4.3 27.4 1.0
CG1 B:ILE54 4.3 22.1 1.0
CG2 B:ILE54 4.4 21.8 1.0
O B:MET55 4.4 27.7 1.0
C B:MET55 4.4 25.6 1.0
C B:THR81 4.5 21.9 1.0
CG B:LEU83 4.5 27.0 1.0
O B:ILE54 4.6 21.9 1.0
CA B:ASP53 4.7 25.4 1.0
CB B:ASP53 4.8 25.9 1.0
CG2 B:THR81 4.8 16.9 1.0
N B:LEU83 4.9 22.0 1.0
CD1 B:LEU83 4.9 28.6 1.0
O B:LEU80 5.0 26.6 1.0
CA B:ALA82 5.0 21.9 1.0

Fluorine binding site 6 out of 6 in 3nnn

Go back to Fluorine Binding Sites List in 3nnn
Fluorine binding site 6 out of 6 in the BEF3 Activated Drrd Receiver Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of BEF3 Activated Drrd Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F402

b:27.2
occ:1.00
 F3 B:BEF402 0.0 27.2 1.0
BE B:BEF402 1.5 27.5 1.0
F1 B:BEF402 2.4 28.9 1.0
F2 B:BEF402 2.5 30.5 1.0
OD2 B:ASP53 2.6 26.1 1.0
N B:ALA82 2.7 21.2 1.0
NZ B:LYS103 3.0 31.3 1.0
CA B:THR81 3.3 22.4 1.0
OG1 B:THR81 3.4 21.4 1.0
C B:THR81 3.5 21.9 1.0
O B:HOH338 3.5 32.7 1.0
CE B:LYS103 3.5 30.3 1.0
CB B:ALA82 3.6 21.9 1.0
CA B:ALA82 3.7 21.9 1.0
CD B:LYS103 3.7 32.1 1.0
CG B:ASP53 3.7 28.7 1.0
CB B:THR81 3.8 20.9 1.0
O B:HOH282 4.1 27.0 1.0
OD1 B:ASP53 4.2 28.5 1.0
MG B:MG401 4.3 27.4 1.0
O B:LEU80 4.3 26.6 1.0
N B:THR81 4.6 24.1 1.0
O B:THR81 4.6 21.3 1.0
N B:ILE54 4.7 24.8 1.0
C B:ALA82 4.7 21.7 1.0
CG B:LYS103 4.8 32.0 1.0
N B:LEU83 4.8 22.0 1.0
N B:MET55 4.8 26.1 1.0
C B:LEU80 4.9 25.0 1.0
CB B:ASP53 4.9 25.9 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: Wed Jul 31 21:01:48 2024

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