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Fluorine in PDB 1uhl: Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer

Protein crystallography data

The structure of Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer, PDB code: 1uhl was solved by S.Svensson, T.Ostberg, M.Jacobsson, C.Norstrom, K.Stefansson, D.Hallen, I.C.Johansson, K.Zachrisson, D.Ogg, L.Jendeberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.65 / 2.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.634, 88.996, 90.795, 90.00, 90.00, 90.00
R / Rfree (%) 21.9 / 32.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer (pdb code 1uhl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer, PDB code: 1uhl:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 1uhl

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Fluorine binding site 1 out of 9 in the Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:57.9
occ:1.00
F22 B:4441002 0.0 57.9 1.0
C19 B:4441002 1.3 58.0 1.0
F20 B:4441002 2.0 57.4 1.0
F21 B:4441002 2.1 59.0 1.0
C16 B:4441002 2.4 59.0 1.0
OG1 B:THR302 2.4 34.9 1.0
O B:MET298 2.9 24.7 1.0
N15 B:4441002 3.1 59.9 1.0
C B:MET298 3.2 23.6 1.0
CB B:THR302 3.4 34.0 1.0
CA B:LEU299 3.5 22.1 1.0
N B:LEU299 3.5 23.1 1.0
C02 B:4441002 3.6 66.8 1.0
CG B:MET298 3.7 24.2 1.0
C23 B:4441002 4.0 50.2 1.0
CG2 B:THR302 4.0 33.0 1.0
C01 B:4441002 4.1 66.8 1.0
C24 B:4441002 4.1 43.9 1.0
S12 B:4441002 4.2 67.7 1.0
CA B:MET298 4.3 23.6 1.0
CG B:LEU299 4.3 21.2 1.0
CB B:MET298 4.3 23.3 1.0
C03 B:4441002 4.3 67.9 1.0
CB B:LEU299 4.4 21.5 1.0
C B:LEU299 4.6 22.7 1.0
CA B:THR302 4.7 34.4 1.0
CD2 B:LEU299 4.8 15.2 1.0
N B:THR302 4.8 32.4 1.0
SD B:MET298 4.9 30.4 1.0
CG2 B:ILE339 4.9 22.2 1.0
O B:ILE295 4.9 24.2 1.0

Fluorine binding site 2 out of 9 in 1uhl

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Fluorine binding site 2 out of 9 in the Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:59.0
occ:1.00
F21 B:4441002 0.0 59.0 1.0
C19 B:4441002 1.3 58.0 1.0
F20 B:4441002 2.1 57.4 1.0
F22 B:4441002 2.1 57.9 1.0
C16 B:4441002 2.4 59.0 1.0
C24 B:4441002 3.0 43.9 1.0
N15 B:4441002 3.1 59.9 1.0
C23 B:4441002 3.1 50.2 1.0
C25 B:4441002 4.0 35.6 1.0
CG B:LEU299 4.1 21.2 1.0
CG B:MET298 4.2 24.2 1.0
C28 B:4441002 4.2 42.9 1.0
CZ B:PHE335 4.3 33.1 1.0
CG2 B:ILE295 4.3 22.1 1.0
CD2 B:LEU299 4.5 15.2 1.0
CG2 B:ILE339 4.5 22.2 1.0
OG1 B:THR302 4.5 34.9 1.0
CA B:LEU299 4.7 22.1 1.0
S12 B:4441002 4.7 67.7 1.0
CE2 B:PHE335 4.7 32.6 1.0
N B:LEU299 4.7 23.1 1.0
C B:MET298 4.8 23.6 1.0
C02 B:4441002 4.8 66.8 1.0
O B:MET298 4.8 24.7 1.0
C26 B:4441002 4.8 35.4 1.0
CD1 B:LEU299 4.9 19.8 1.0
C27 B:4441002 4.9 37.9 1.0
CB B:LEU299 4.9 21.5 1.0
SD B:MET298 5.0 30.4 1.0

Fluorine binding site 3 out of 9 in 1uhl

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Fluorine binding site 3 out of 9 in the Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:57.4
occ:1.00
F20 B:4441002 0.0 57.4 1.0
C19 B:4441002 1.3 58.0 1.0
F22 B:4441002 2.0 57.9 1.0
F21 B:4441002 2.1 59.0 1.0
C16 B:4441002 2.4 59.0 1.0
CG2 B:ILE339 3.0 22.2 1.0
OG1 B:THR302 3.4 34.9 1.0
CB B:THR302 3.7 34.0 1.0
CD2 B:LEU299 3.7 15.2 1.0
N15 B:4441002 3.8 59.9 1.0
CG B:LEU299 3.8 21.2 1.0
CG2 B:THR302 3.8 33.0 1.0
CA B:LEU299 3.9 22.1 1.0
CB B:ILE339 4.3 24.0 1.0
CB B:LEU299 4.4 21.5 1.0
O B:MET298 4.4 24.7 1.0
C23 B:4441002 4.5 50.2 1.0
N B:LEU299 4.5 23.1 1.0
CG1 B:ILE339 4.6 27.8 1.0
CD1 B:ILE339 4.7 33.5 1.0
C B:MET298 4.7 23.6 1.0
C24 B:4441002 4.8 43.9 1.0
C B:LEU299 4.9 22.7 1.0

Fluorine binding site 4 out of 9 in 1uhl

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Fluorine binding site 4 out of 9 in the Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:28.8
occ:1.00
F36 B:4441002 0.0 28.8 1.0
C34 B:4441002 1.3 30.7 1.0
F35 B:4441002 2.0 34.1 1.0
F39 B:4441002 2.1 27.1 1.0
F37 B:4441002 2.2 31.1 1.0
C33 B:4441002 2.2 31.9 1.0
C38 B:4441002 2.6 30.0 1.0
O42 B:4441002 2.6 31.2 1.0
F40 B:4441002 3.1 27.6 1.0
C26 B:4441002 3.7 35.4 1.0
F41 B:4441002 3.8 32.6 1.0
NE2 B:HIS421 4.0 17.3 1.0
C27 B:4441002 4.3 37.9 1.0
CE1 B:PHE254 4.5 50.4 1.0
CG B:GLN424 4.7 28.9 1.0
CD2 B:HIS421 4.7 18.6 1.0
CD2 B:LEU331 4.8 46.9 1.0
C25 B:4441002 4.8 35.6 1.0
CG2 B:VAL425 4.8 30.7 1.0
CD1 B:LEU428 4.9 38.2 1.0
CE1 B:HIS421 4.9 19.7 1.0

Fluorine binding site 5 out of 9 in 1uhl

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Fluorine binding site 5 out of 9 in the Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:31.1
occ:1.00
F37 B:4441002 0.0 31.1 1.0
C34 B:4441002 1.3 30.7 1.0
F35 B:4441002 2.2 34.1 1.0
F36 B:4441002 2.2 28.8 1.0
C33 B:4441002 2.3 31.9 1.0
F40 B:4441002 2.4 27.6 1.0
C38 B:4441002 2.8 30.0 1.0
C27 B:4441002 2.8 37.9 1.0
C26 B:4441002 2.9 35.4 1.0
F39 B:4441002 3.1 27.1 1.0
CD2 B:LEU331 3.3 46.9 1.0
O42 B:4441002 3.5 31.2 1.0
CD1 B:LEU331 3.6 49.4 1.0
CG B:LEU331 4.0 48.4 1.0
F41 B:4441002 4.0 32.6 1.0
C28 B:4441002 4.1 42.9 1.0
C25 B:4441002 4.2 35.6 1.0
CG B:GLN424 4.3 28.9 1.0
NE2 B:HIS421 4.6 17.3 1.0
CE2 B:PHE335 4.8 32.6 1.0
CD2 B:HIS421 4.8 18.6 1.0
CE1 B:PHE254 4.9 50.4 1.0
CB B:LEU331 4.9 47.5 1.0

Fluorine binding site 6 out of 9 in 1uhl

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Fluorine binding site 6 out of 9 in the Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:34.1
occ:1.00
F35 B:4441002 0.0 34.1 1.0
C34 B:4441002 1.3 30.7 1.0
F36 B:4441002 2.0 28.8 1.0
F37 B:4441002 2.2 31.1 1.0
C33 B:4441002 2.3 31.9 1.0
O42 B:4441002 2.7 31.2 1.0
NE2 B:HIS421 2.8 17.3 1.0
CD2 B:HIS421 3.0 18.6 1.0
C26 B:4441002 3.2 35.4 1.0
CG B:GLN424 3.5 28.9 1.0
C38 B:4441002 3.6 30.0 1.0
F39 B:4441002 3.8 27.1 1.0
C27 B:4441002 3.9 37.9 1.0
CE1 B:HIS421 3.9 19.7 1.0
F40 B:4441002 4.0 27.6 1.0
C25 B:4441002 4.1 35.6 1.0
CG B:HIS421 4.2 20.3 1.0
CB B:GLN424 4.2 28.3 1.0
O B:HIS421 4.4 25.1 1.0
CE2 B:PHE335 4.5 32.6 1.0
CZ B:PHE335 4.5 33.1 1.0
ND1 B:HIS421 4.6 24.3 1.0
N B:VAL425 4.7 29.9 1.0
F41 B:4441002 4.8 32.6 1.0
CD B:GLN424 4.9 32.2 1.0
C B:GLN424 4.9 28.5 1.0
CA B:VAL425 4.9 31.8 1.0
CD2 B:PHE335 5.0 30.9 1.0
CE1 B:PHE335 5.0 37.1 1.0

Fluorine binding site 7 out of 9 in 1uhl

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Fluorine binding site 7 out of 9 in the Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:27.1
occ:1.00
F39 B:4441002 0.0 27.1 1.0
C38 B:4441002 1.3 30.0 1.0
F40 B:4441002 2.0 27.6 1.0
F41 B:4441002 2.1 32.6 1.0
F36 B:4441002 2.1 28.8 1.0
C33 B:4441002 2.4 31.9 1.0
C34 B:4441002 2.6 30.7 1.0
O42 B:4441002 2.9 31.2 1.0
F37 B:4441002 3.1 31.1 1.0
C26 B:4441002 3.6 35.4 1.0
F35 B:4441002 3.8 34.1 1.0
CE1 B:PHE254 4.1 50.4 1.0
C27 B:4441002 4.2 37.9 1.0
CD1 B:LEU439 4.2 33.3 1.0
OG1 B:THR258 4.4 50.8 1.0
CZ B:PHE254 4.4 49.4 1.0
C25 B:4441002 4.6 35.6 1.0
CD1 B:PHE254 5.0 50.3 1.0
CA B:THR258 5.0 49.6 1.0

Fluorine binding site 8 out of 9 in 1uhl

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Fluorine binding site 8 out of 9 in the Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:27.6
occ:1.00
F40 B:4441002 0.0 27.6 1.0
C38 B:4441002 1.3 30.0 1.0
F39 B:4441002 2.0 27.1 1.0
F41 B:4441002 2.1 32.6 1.0
C33 B:4441002 2.3 31.9 1.0
F37 B:4441002 2.4 31.1 1.0
C27 B:4441002 2.6 37.9 1.0
C26 B:4441002 2.7 35.4 1.0
C34 B:4441002 2.7 30.7 1.0
F36 B:4441002 3.1 28.8 1.0
O42 B:4441002 3.5 31.2 1.0
C28 B:4441002 3.8 42.9 1.0
C25 B:4441002 3.9 35.6 1.0
CB B:PHE257 3.9 49.9 1.0
F35 B:4441002 4.0 34.1 1.0
C B:PHE257 4.3 49.8 1.0
N B:THR258 4.4 49.6 1.0
CD2 B:LEU331 4.4 46.9 1.0
O B:PHE257 4.5 50.6 1.0
CE1 B:PHE254 4.5 50.4 1.0
CA B:PHE257 4.7 50.2 1.0
CD1 B:LEU331 4.7 49.4 1.0
C23 B:4441002 4.7 50.2 1.0
C24 B:4441002 4.8 43.9 1.0
CA B:THR258 4.9 49.6 1.0
CD1 B:PHE254 4.9 50.3 1.0

Fluorine binding site 9 out of 9 in 1uhl

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Fluorine binding site 9 out of 9 in the Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of the Lxralfa-Rxrbeta Lbd Heterodimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:32.6
occ:1.00
F41 B:4441002 0.0 32.6 1.0
C38 B:4441002 1.3 30.0 1.0
F39 B:4441002 2.1 27.1 1.0
F40 B:4441002 2.1 27.6 1.0
C33 B:4441002 2.5 31.9 1.0
C26 B:4441002 3.0 35.4 1.0
O42 B:4441002 3.0 31.2 1.0
CB B:ALA261 3.4 43.7 1.0
CD1 B:LEU439 3.5 33.3 1.0
C25 B:4441002 3.5 35.6 1.0
C27 B:4441002 3.6 37.9 1.0
C34 B:4441002 3.7 30.7 1.0
F36 B:4441002 3.8 28.8 1.0
O B:PHE257 4.0 50.6 1.0
F37 B:4441002 4.0 31.1 1.0
CA B:THR258 4.1 49.6 1.0
C B:PHE257 4.2 49.8 1.0
N B:THR258 4.2 49.6 1.0
C24 B:4441002 4.5 43.9 1.0
OG1 B:THR258 4.5 50.8 1.0
C28 B:4441002 4.5 42.9 1.0
F35 B:4441002 4.8 34.1 1.0
CA B:ALA261 4.8 43.6 1.0
CG B:LEU439 4.9 35.2 1.0
C23 B:4441002 4.9 50.2 1.0
CB B:THR258 5.0 49.6 1.0

Reference:

S.Svensson, T.Ostberg, M.Jacobsson, C.Norstrom, K.Stefansson, D.Hallen, I.C.Johansson, K.Zachrisson, D.Ogg, L.Jendeberg. Crystal Structure of the Heterodimeric Complex of Lxralpha and Rxrbeta Ligand-Binding Domains in A Fully Agonistic Conformation Embo J. V. 22 4625 2003.
ISSN: ISSN 0261-4189
PubMed: 12970175
DOI: 10.1093/EMBOJ/CDG456
Page generated: Sun Dec 13 11:33:11 2020

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