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Fluorine in PDB 1zes: BEF3- Activated Phob Receiver Domain

Protein crystallography data

The structure of BEF3- Activated Phob Receiver Domain, PDB code: 1zes was solved by P.Bachhawat, G.T.Montelione, A.M.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.70 / 1.90
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.869, 77.869, 109.071, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 24

Other elements in 1zes:

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

Magnesium (Mg) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the BEF3- Activated Phob Receiver Domain (pdb code 1zes). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the BEF3- Activated Phob Receiver Domain, PDB code: 1zes:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 1zes

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Fluorine binding site 1 out of 9 in the BEF3- Activated Phob 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 Phob Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:15.9
occ:1.00
F1 A:BEF201 0.0 15.9 1.0
BE A:BEF201 1.5 19.7 1.0
MG A:MG302 2.2 21.1 1.0
F3 A:BEF201 2.4 21.2 1.0
F2 A:BEF201 2.5 18.4 1.0
OD1 A:ASP53 2.7 15.7 1.0
OD2 A:ASP53 2.9 16.4 1.0
O A:MET55 3.0 18.0 1.0
O A:HOH303 3.0 17.9 1.0
O A:HOH304 3.1 21.4 1.0
O A:HOH332 3.1 29.7 1.0
CG A:ASP53 3.1 14.8 1.0
CB A:MET55 3.2 19.8 1.0
N A:MET55 3.4 17.9 1.0
CE A:MET55 3.6 23.4 1.0
CA A:MET55 3.6 19.6 1.0
C A:MET55 3.7 18.4 1.0
CG A:MET55 3.9 22.0 1.0
OD1 A:ASP10 4.2 15.0 1.0
NZ A:LYS105 4.2 14.7 1.0
SD A:MET55 4.5 24.9 1.0
N A:TRP54 4.6 15.7 1.0
C A:TRP54 4.6 17.2 1.0
CB A:ASP53 4.6 15.2 1.0
OG1 A:THR83 4.9 14.0 1.0
OE2 A:GLU11 4.9 20.6 0.5

Fluorine binding site 2 out of 9 in 1zes

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Fluorine binding site 2 out of 9 in the BEF3- Activated Phob 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 Phob Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:18.4
occ:1.00
F2 A:BEF201 0.0 18.4 1.0
BE A:BEF201 1.5 19.7 1.0
F3 A:BEF201 2.5 21.2 1.0
F1 A:BEF201 2.5 15.9 1.0
OG1 A:THR83 2.5 14.0 1.0
OD1 A:ASP53 2.5 15.7 1.0
N A:MET55 3.0 17.9 1.0
N A:TRP54 3.2 15.7 1.0
CB A:THR83 3.3 15.9 1.0
CB A:TRP54 3.3 17.6 1.0
CG A:ASP53 3.6 14.8 1.0
CA A:TRP54 3.6 17.1 1.0
CG A:MET55 3.6 22.0 1.0
N A:ALA84 3.6 16.4 1.0
CE A:MET55 3.7 23.4 1.0
CA A:THR83 3.7 15.5 1.0
C A:TRP54 3.8 17.2 1.0
CB A:MET55 3.8 19.8 1.0
CA A:MET55 4.0 19.6 1.0
OD2 A:ASP53 4.1 16.4 1.0
C A:THR83 4.2 16.0 1.0
C A:ASP53 4.3 16.2 1.0
MG A:MG302 4.4 21.1 1.0
CG A:TRP54 4.4 19.0 1.0
CG A:ARG85 4.4 19.7 1.0
O A:HOH332 4.5 29.7 1.0
SD A:MET55 4.5 24.9 1.0
N A:ARG85 4.5 17.4 1.0
O A:MET55 4.6 18.0 1.0
CG2 A:THR83 4.7 15.9 1.0
CA A:ALA84 4.7 15.8 1.0
CA A:ASP53 4.7 14.6 1.0
CB A:ASP53 4.7 15.2 1.0
C A:MET55 4.8 18.4 1.0
CB A:ALA84 4.8 15.0 1.0
NZ A:LYS105 4.9 14.7 1.0
O A:LEU82 4.9 17.0 1.0
CD1 A:TRP54 4.9 20.3 1.0

Fluorine binding site 3 out of 9 in 1zes

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Fluorine binding site 3 out of 9 in the BEF3- Activated Phob 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 Phob Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:21.2
occ:1.00
F3 A:BEF201 0.0 21.2 1.0
BE A:BEF201 1.5 19.7 1.0
F1 A:BEF201 2.4 15.9 1.0
F2 A:BEF201 2.5 18.4 1.0
OD1 A:ASP53 2.7 15.7 1.0
NZ A:LYS105 2.8 14.7 1.0
O A:HOH332 2.8 29.7 1.0
N A:ALA84 2.9 16.4 1.0
CB A:ALA84 3.5 15.0 1.0
CE A:LYS105 3.5 14.3 1.0
CA A:THR83 3.6 15.5 1.0
CG A:ASP53 3.7 14.8 1.0
C A:THR83 3.7 16.0 1.0
OG1 A:THR83 3.7 14.0 1.0
CD A:LYS105 3.7 17.3 1.0
CA A:ALA84 3.8 15.8 1.0
O A:HOH303 3.8 17.9 1.0
OD2 A:ASP53 4.0 16.4 1.0
MG A:MG302 4.1 21.1 1.0
CB A:THR83 4.2 15.9 1.0
CE A:MET55 4.2 23.4 1.0
O A:HOH317 4.6 26.8 1.0
O A:LEU82 4.6 17.0 1.0
N A:THR83 4.8 15.4 1.0
OE1 A:GLU9 4.8 19.0 1.0
C A:ALA84 4.8 16.9 1.0
O A:THR83 4.9 17.0 1.0
CG A:LYS105 4.9 19.0 1.0
N A:ARG85 4.9 17.4 1.0
CB A:ASP53 5.0 15.2 1.0
N A:TRP54 5.0 15.7 1.0

Fluorine binding site 4 out of 9 in 1zes

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Fluorine binding site 4 out of 9 in the BEF3- Activated Phob 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 Phob Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:16.1
occ:1.00
F1 B:BEF202 0.0 16.1 1.0
BE B:BEF202 1.5 14.7 1.0
MG B:MG303 2.1 18.8 1.0
F2 B:BEF202 2.4 14.9 1.0
F3 B:BEF202 2.4 17.8 1.0
OD1 B:ASP53 2.5 14.5 1.0
OD2 B:ASP53 2.8 15.7 1.0
O B:HOH304 2.9 19.0 1.0
O B:MET55 3.0 19.4 1.0
O B:HOH307 3.1 18.6 1.0
CG B:ASP53 3.1 13.9 1.0
CB B:MET55 3.3 19.5 1.0
N B:MET55 3.4 18.2 1.0
CE B:MET55 3.5 24.8 1.0
CA B:MET55 3.6 20.1 1.0
C B:MET55 3.7 19.1 1.0
OD1 B:ASP10 4.1 14.8 1.0
CG B:MET55 4.1 21.3 1.0
NZ B:LYS105 4.2 15.8 1.0
N B:TRP54 4.5 16.2 1.0
C B:TRP54 4.6 18.3 1.0
CB B:ASP53 4.6 13.1 1.0
SD B:MET55 4.6 26.7 1.0
OG1 B:THR83 4.9 16.3 1.0
OE2 B:GLU9 4.9 17.6 1.0

Fluorine binding site 5 out of 9 in 1zes

Go back to Fluorine Binding Sites List in 1zes
Fluorine binding site 5 out of 9 in the BEF3- Activated Phob 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 Phob Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:14.9
occ:1.00
F2 B:BEF202 0.0 14.9 1.0
BE B:BEF202 1.5 14.7 1.0
OD1 B:ASP53 2.4 14.5 1.0
F1 B:BEF202 2.4 16.1 1.0
F3 B:BEF202 2.5 17.8 1.0
OG1 B:THR83 2.6 16.3 1.0
N B:MET55 2.9 18.2 1.0
N B:TRP54 3.1 16.2 1.0
CB B:TRP54 3.3 17.2 1.0
CB B:THR83 3.4 15.9 1.0
CA B:TRP54 3.5 17.3 1.0
CG B:ASP53 3.5 13.9 1.0
CE B:MET55 3.6 24.8 1.0
C B:TRP54 3.6 18.3 1.0
CG B:MET55 3.8 21.3 1.0
CB B:MET55 3.8 19.5 1.0
CA B:MET55 3.8 20.1 1.0
CA B:THR83 3.9 15.8 1.0
N B:ALA84 3.9 16.1 1.0
OD2 B:ASP53 4.1 15.7 1.0
C B:ASP53 4.2 15.2 1.0
CG B:ARG85 4.3 20.0 1.0
MG B:MG303 4.3 18.8 1.0
C B:THR83 4.4 15.4 1.0
CG B:TRP54 4.4 17.5 1.0
SD B:MET55 4.4 26.7 1.0
O B:MET55 4.5 19.4 1.0
N B:ARG85 4.6 16.3 1.0
C B:MET55 4.6 19.1 1.0
CA B:ASP53 4.6 14.8 1.0
CB B:ASP53 4.7 13.1 1.0
CD B:ARG85 4.7 26.0 1.0
CG2 B:THR83 4.8 14.8 1.0
O B:TRP54 4.8 19.1 1.0
CA B:ALA84 4.9 16.2 1.0
NZ B:LYS105 5.0 15.8 1.0

Fluorine binding site 6 out of 9 in 1zes

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Fluorine binding site 6 out of 9 in the BEF3- Activated Phob 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 Phob Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:17.8
occ:1.00
F3 B:BEF202 0.0 17.8 1.0
BE B:BEF202 1.5 14.7 1.0
F1 B:BEF202 2.4 16.1 1.0
F2 B:BEF202 2.5 14.9 1.0
OD1 B:ASP53 2.7 14.5 1.0
N B:ALA84 2.8 16.1 1.0
NZ B:LYS105 2.9 15.8 1.0
CB B:ALA84 3.6 17.3 1.0
CA B:THR83 3.6 15.8 1.0
CE B:LYS105 3.6 14.9 1.0
C B:THR83 3.6 15.4 1.0
OG1 B:THR83 3.7 16.3 1.0
O B:HOH304 3.7 19.0 1.0
CG B:ASP53 3.7 13.9 1.0
CD B:LYS105 3.7 17.2 1.0
CA B:ALA84 3.8 16.2 1.0
CE B:MET55 4.0 24.8 1.0
MG B:MG303 4.1 18.8 1.0
CB B:THR83 4.1 15.9 1.0
OD2 B:ASP53 4.2 15.7 1.0
O B:HOH305 4.5 27.0 1.0
O B:LEU82 4.6 14.3 1.0
OE1 B:GLU9 4.7 16.1 1.0
C B:ALA84 4.8 17.2 1.0
N B:ARG85 4.8 16.3 1.0
N B:THR83 4.8 15.4 1.0
O B:THR83 4.8 15.8 1.0
CG B:LYS105 4.8 18.2 1.0
N B:TRP54 4.9 16.2 1.0
CB B:ASP53 4.9 13.1 1.0

Fluorine binding site 7 out of 9 in 1zes

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Fluorine binding site 7 out of 9 in the BEF3- Activated Phob Receiver Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of BEF3- Activated Phob Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F203

b:18.6
occ:1.00
F1 C:BEF203 0.0 18.6 1.0
BE C:BEF203 1.5 19.7 1.0
MG C:MG301 2.0 18.1 1.0
F3 C:BEF203 2.5 19.3 1.0
F2 C:BEF203 2.5 18.1 1.0
OD1 C:ASP53 2.6 16.9 1.0
OD2 C:ASP53 2.8 16.4 1.0
O C:HOH309 2.8 13.8 1.0
O C:MET55 3.0 20.8 1.0
CG C:ASP53 3.1 14.9 1.0
O C:HOH315 3.1 16.1 1.0
CB C:MET55 3.4 19.8 1.0
N C:MET55 3.5 19.4 1.0
CA C:MET55 3.7 19.2 1.0
C C:MET55 3.8 19.8 1.0
CE C:MET55 4.0 21.2 0.5
OD1 C:ASP10 4.1 21.6 1.0
CG C:MET55 4.2 18.4 0.5
NZ C:LYS105 4.3 13.8 1.0
O C:HOH302 4.4 51.7 1.0
N C:TRP54 4.4 16.7 1.0
C C:TRP54 4.6 18.4 1.0
CB C:ASP53 4.6 15.1 1.0
O C:HOH324 4.7 29.8 1.0
SD C:MET55 4.9 20.3 0.5
OE2 C:GLU11 4.9 19.7 1.0
CA C:TRP54 5.0 18.0 1.0
OG1 C:THR83 5.0 16.1 1.0

Fluorine binding site 8 out of 9 in 1zes

Go back to Fluorine Binding Sites List in 1zes
Fluorine binding site 8 out of 9 in the BEF3- Activated Phob Receiver Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of BEF3- Activated Phob Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F203

b:18.1
occ:1.00
F2 C:BEF203 0.0 18.1 1.0
BE C:BEF203 1.5 19.7 1.0
F1 C:BEF203 2.5 18.6 1.0
F3 C:BEF203 2.5 19.3 1.0
OG1 C:THR83 2.7 16.1 1.0
OD1 C:ASP53 2.7 16.9 1.0
N C:MET55 3.0 19.4 1.0
N C:TRP54 3.2 16.7 1.0
CB C:TRP54 3.3 18.5 1.0
CB C:THR83 3.5 17.0 1.0
CA C:TRP54 3.5 18.0 1.0
CE C:MET55 3.6 21.2 0.5
CG C:ASP53 3.7 14.9 1.0
CG C:MET55 3.7 18.4 0.5
C C:TRP54 3.7 18.4 1.0
CB C:MET55 3.8 19.8 1.0
N C:ALA84 3.9 17.1 1.0
CA C:THR83 3.9 16.1 1.0
CA C:MET55 3.9 19.2 1.0
OD2 C:ASP53 4.2 16.4 1.0
MG C:MG301 4.3 18.1 1.0
C C:ASP53 4.3 16.0 1.0
CG C:ARG85 4.4 23.6 1.0
C C:THR83 4.4 16.8 1.0
CG C:TRP54 4.4 20.3 1.0
SD C:MET55 4.5 20.3 0.5
O C:MET55 4.6 20.8 1.0
N C:ARG85 4.6 18.7 1.0
C C:MET55 4.7 19.8 1.0
CA C:ASP53 4.7 14.9 1.0
CB C:ASP53 4.8 15.1 1.0
CA C:ALA84 4.8 17.7 1.0
CB C:ALA84 4.9 16.8 1.0
CG2 C:THR83 4.9 13.4 1.0
O C:TRP54 4.9 19.7 1.0
CD C:ARG85 5.0 30.6 1.0

Fluorine binding site 9 out of 9 in 1zes

Go back to Fluorine Binding Sites List in 1zes
Fluorine binding site 9 out of 9 in the BEF3- Activated Phob Receiver Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of BEF3- Activated Phob Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F203

b:19.3
occ:1.00
F3 C:BEF203 0.0 19.3 1.0
BE C:BEF203 1.5 19.7 1.0
F1 C:BEF203 2.5 18.6 1.0
F2 C:BEF203 2.5 18.1 1.0
OD1 C:ASP53 2.7 16.9 1.0
N C:ALA84 2.8 17.1 1.0
NZ C:LYS105 2.9 13.8 1.0
CB C:ALA84 3.5 16.8 1.0
CA C:THR83 3.6 16.1 1.0
CE C:LYS105 3.6 15.8 1.0
C C:THR83 3.6 16.8 1.0
O C:HOH309 3.7 13.8 1.0
CA C:ALA84 3.7 17.7 1.0
CG C:ASP53 3.7 14.9 1.0
O C:HOH324 3.7 29.8 1.0
OG1 C:THR83 3.8 16.1 1.0
CD C:LYS105 3.9 16.4 1.0
MG C:MG301 4.1 18.1 1.0
OD2 C:ASP53 4.1 16.4 1.0
CB C:THR83 4.2 17.0 1.0
CE C:MET55 4.4 21.2 0.5
O C:LEU82 4.6 14.8 1.0
C C:ALA84 4.7 18.5 1.0
N C:THR83 4.7 17.3 1.0
N C:ARG85 4.8 18.7 1.0
O C:THR83 4.8 17.9 1.0
OE1 C:GLU9 4.9 18.1 1.0
N C:TRP54 4.9 16.7 1.0
CB C:ASP53 5.0 15.1 1.0

Reference:

P.Bachhawat, G.V.Swapna, G.T.Montelione, A.M.Stock. Mechanism of Activation For Transcription Factor Phob Suggested By Different Modes of Dimerization in the Inactive and Active States. Structure V. 13 1353 2005.
ISSN: ISSN 0969-2126
PubMed: 16154092
DOI: 10.1016/J.STR.2005.06.006
Page generated: Sun Dec 13 11:34:29 2020

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