Atomistry » Fluorine » PDB 3nlz-3og7 » 3nns
Atomistry »
  Fluorine »
    PDB 3nlz-3og7 »
      3nns »

Fluorine 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:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the BEF3 Activated Drrb Receiver Domain (pdb code 3nns). 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 Drrb Receiver Domain, PDB code: 3nns:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3nns

Go back to Fluorine Binding Sites List in 3nns
Fluorine binding site 1 out of 6 in the BEF3 Activated Drrb 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 Drrb Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:31.7
occ:1.00
 F1 A:BEF402 0.0 31.7 1.0
BE A:BEF402 1.5 29.2 1.0
MG A:MG401 2.3 34.7 1.0
F2 A:BEF402 2.4 33.6 1.0
F3 A:BEF402 2.4 33.9 1.0
OD2 A:ASP50 2.8 14.2 1.0
O A:HOH283 2.8 22.9 1.0
O A:MSE52 3.0 21.9 1.0
O A:HOH317 3.0 16.1 1.0
OD1 A:ASP50 3.0 16.2 1.0
CB A:MSE52 3.1 29.2 1.0
CG A:ASP50 3.3 14.1 1.0
N A:MSE52 3.6 20.4 1.0
CA A:MSE52 3.6 23.7 1.0
C A:MSE52 3.7 21.5 1.0
CE A:MSE52 3.8 51.0 1.0
CG A:MSE52 3.8 39.7 1.0
CD1 A:LEU79 4.0 29.1 1.0
OD2 A:ASP10 4.2 16.0 1.0
NZ A:LYS100 4.4 11.1 1.0
SE A:MSE52 4.7 55.2 1.0
N A:VAL51 4.8 13.5 1.0
C A:VAL51 4.8 18.0 1.0
CB A:ASP50 4.8 13.6 1.0
OG1 A:THR78 4.8 17.0 1.0
N A:LEU53 4.9 20.5 1.0
CG A:LEU79 5.0 27.5 1.0

Fluorine binding site 2 out of 6 in 3nns

Go back to Fluorine Binding Sites List in 3nns
Fluorine binding site 2 out of 6 in the BEF3 Activated Drrb 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 Drrb Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:33.6
occ:1.00
 F2 A:BEF402 0.0 33.6 1.0
BE A:BEF402 1.5 29.2 1.0
F1 A:BEF402 2.4 31.7 1.0
F3 A:BEF402 2.5 33.9 1.0
OD2 A:ASP50 2.6 14.2 1.0
OG1 A:THR78 2.6 17.0 1.0
N A:MSE52 2.6 20.4 1.0
N A:VAL51 3.2 13.5 1.0
CG A:MSE52 3.2 39.7 1.0
CB A:THR78 3.3 17.1 1.0
CB A:MSE52 3.3 29.2 1.0
CD1 A:LEU79 3.4 29.1 1.0
CA A:MSE52 3.5 23.7 1.0
CG A:ASP50 3.6 14.1 1.0
C A:VAL51 3.6 18.0 1.0
CB A:VAL51 3.6 14.2 1.0
CA A:VAL51 3.6 15.6 1.0
CA A:THR78 3.8 17.4 1.0
OD1 A:ASP50 4.0 16.2 1.0
N A:LEU79 4.1 19.7 1.0
O A:MSE52 4.3 21.9 1.0
C A:ASP50 4.3 14.9 1.0
C A:MSE52 4.3 21.5 1.0
MG A:MG401 4.4 34.7 1.0
C A:THR78 4.5 18.8 1.0
CE A:MSE52 4.5 51.0 1.0
O A:LEU77 4.6 15.4 1.0
CG2 A:VAL51 4.6 12.7 1.0
CG1 A:VAL51 4.6 13.7 1.0
SE A:MSE52 4.6 55.2 1.0
CA A:ASP50 4.7 13.7 1.0
CG2 A:THR78 4.7 18.0 1.0
CB A:ASP50 4.7 13.6 1.0
O A:VAL51 4.7 15.9 1.0
CG A:LEU80 4.8 25.6 1.0
CG A:LEU79 4.8 27.5 1.0
N A:THR78 5.0 17.9 1.0

Fluorine binding site 3 out of 6 in 3nns

Go back to Fluorine Binding Sites List in 3nns
Fluorine binding site 3 out of 6 in the BEF3 Activated Drrb 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 Drrb Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:33.9
occ:1.00
 F3 A:BEF402 0.0 33.9 1.0
BE A:BEF402 1.5 29.2 1.0
F1 A:BEF402 2.4 31.7 1.0
F2 A:BEF402 2.5 33.6 1.0
OD2 A:ASP50 2.8 14.2 1.0
NZ A:LYS100 3.0 11.1 1.0
N A:LEU79 3.1 19.7 1.0
CD1 A:LEU79 3.3 29.1 1.0
CE A:LYS100 3.4 13.4 1.0
CA A:THR78 3.5 17.4 1.0
CD A:LYS100 3.6 16.9 1.0
OG1 A:THR78 3.7 17.0 1.0
C A:THR78 3.8 18.8 1.0
O A:HOH317 3.8 16.1 1.0
CG A:ASP50 3.8 14.1 1.0
CB A:LEU79 4.0 24.0 1.0
CB A:THR78 4.0 17.1 1.0
CG A:LEU79 4.0 27.5 1.0
CA A:LEU79 4.1 22.7 1.0
MG A:MG401 4.2 34.7 1.0
OD1 A:ASP50 4.2 16.2 1.0
O A:LEU77 4.3 15.4 1.0
O A:HOH230 4.6 19.6 1.0
N A:THR78 4.6 17.9 1.0
CG A:LYS100 4.7 18.4 1.0
OD1 A:ASP9 4.8 13.1 1.0
C A:LEU77 4.9 15.8 1.0
CE A:MSE52 4.9 51.0 1.0
N A:MSE52 4.9 20.4 1.0
O A:HOH283 4.9 22.9 1.0
O A:THR78 5.0 17.2 1.0
N A:VAL51 5.0 13.5 1.0
CB A:MSE52 5.0 29.2 1.0

Fluorine binding site 4 out of 6 in 3nns

Go back to Fluorine Binding Sites List in 3nns
Fluorine binding site 4 out of 6 in the BEF3 Activated Drrb 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 Drrb Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:28.5
occ:1.00
 F1 B:BEF502 0.0 28.5 1.0
BE B:BEF502 1.5 24.8 1.0
MG B:MG501 2.0 26.1 1.0
F2 B:BEF502 2.4 27.4 1.0
F3 B:BEF502 2.4 29.1 1.0
OD2 B:ASP50 2.9 14.8 1.0
O B:HOH285 3.1 18.7 1.0
O B:HOH284 3.2 19.3 1.0
OD1 B:ASP50 3.2 20.4 1.0
CB B:MSE52 3.3 22.2 1.0
O B:MSE52 3.4 18.5 1.0
CG B:ASP50 3.4 18.7 1.0
N B:MSE52 3.9 16.5 1.0
CA B:MSE52 4.0 19.0 1.0
CG B:MSE52 4.1 26.7 1.0
C B:MSE52 4.1 20.1 1.0
NZ B:LYS100 4.4 9.8 1.0
SE B:MSE52 4.5 34.0 1.0
OD2 B:ASP10 4.5 25.4 1.0
OG1 B:THR78 4.6 15.1 1.0
N B:LEU79 4.8 18.0 1.0
N B:VAL51 4.9 14.2 1.0
CB B:ASP50 4.9 14.5 1.0

Fluorine binding site 5 out of 6 in 3nns

Go back to Fluorine Binding Sites List in 3nns
Fluorine binding site 5 out of 6 in the BEF3 Activated Drrb 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 Drrb Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:27.4
occ:1.00
 F2 B:BEF502 0.0 27.4 1.0
BE B:BEF502 1.5 24.8 1.0
F1 B:BEF502 2.4 28.5 1.0
F3 B:BEF502 2.5 29.1 1.0
OG1 B:THR78 2.5 15.1 1.0
OD2 B:ASP50 2.7 14.8 1.0
N B:MSE52 2.8 16.5 1.0
N B:VAL51 3.3 14.2 1.0
CB B:THR78 3.3 14.3 1.0
CB B:MSE52 3.4 22.2 1.0
CG B:MSE52 3.5 26.7 1.0
CB B:VAL51 3.6 15.2 1.0
CA B:MSE52 3.6 19.0 1.0
CG B:ASP50 3.6 18.7 1.0
C B:VAL51 3.7 16.5 1.0
CA B:VAL51 3.7 14.7 1.0
MG B:MG501 3.9 26.1 1.0
CA B:THR78 3.9 14.2 1.0
N B:LEU79 4.0 18.0 1.0
OD1 B:ASP50 4.1 20.4 1.0
SE B:MSE52 4.4 34.0 1.0
C B:ASP50 4.4 13.9 1.0
O B:MSE52 4.4 18.5 1.0
C B:MSE52 4.4 20.1 1.0
C B:THR78 4.5 16.6 1.0
CG1 B:VAL51 4.5 15.9 1.0
CG B:LEU80 4.6 19.6 1.0
CG2 B:THR78 4.7 14.1 1.0
CG2 B:VAL51 4.7 13.0 1.0
CD1 B:LEU80 4.7 19.6 1.0
CA B:ASP50 4.7 13.6 1.0
O B:LEU77 4.7 10.7 1.0
CB B:ASP50 4.8 14.5 1.0
O B:VAL51 4.8 18.4 1.0
N B:LEU80 4.9 21.2 1.0

Fluorine binding site 6 out of 6 in 3nns

Go back to Fluorine Binding Sites List in 3nns
Fluorine binding site 6 out of 6 in the BEF3 Activated Drrb 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 Drrb Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:29.1
occ:1.00
 F3 B:BEF502 0.0 29.1 1.0
BE B:BEF502 1.5 24.8 1.0
OD2 B:ASP50 2.4 14.8 1.0
F1 B:BEF502 2.4 28.5 1.0
F2 B:BEF502 2.5 27.4 1.0
N B:LEU79 2.9 18.0 1.0
NZ B:LYS100 3.0 9.8 1.0
CA B:THR78 3.1 14.2 1.0
OG1 B:THR78 3.3 15.1 1.0
CE B:LYS100 3.3 13.8 1.0
C B:THR78 3.4 16.6 1.0
CG B:ASP50 3.6 18.7 1.0
CB B:THR78 3.6 14.3 1.0
CD B:LYS100 3.8 12.0 1.0
O B:LEU77 3.9 10.7 1.0
MG B:MG501 3.9 26.1 1.0
O B:HOH285 4.0 18.7 1.0
CA B:LEU79 4.1 20.8 1.0
CB B:LEU79 4.1 22.8 1.0
OD1 B:ASP50 4.1 20.4 1.0
CG B:LEU79 4.2 26.0 1.0
N B:THR78 4.2 14.2 1.0
C B:LEU77 4.5 11.5 1.0
O B:THR78 4.6 14.2 1.0
OD1 B:ASP9 4.7 15.3 1.0
CG B:LYS100 4.7 12.4 1.0
N B:VAL51 4.7 14.2 1.0
O B:HOH205 4.7 15.1 1.0
CB B:ASP50 4.8 14.5 1.0
CD1 B:LEU79 4.8 28.6 1.0
N B:MSE52 5.0 16.5 1.0
CA B:ASP50 5.0 13.6 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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy