Atomistry » Fluorine » PDB 6z9b-6zqs » 6zos
Atomistry »
  Fluorine »
    PDB 6z9b-6zqs »
      6zos »

Fluorine in PDB 6zos: Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18

Protein crystallography data

The structure of Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18, PDB code: 6zos was solved by J.Breed, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.02 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 106.19, 51.98, 85.3, 90, 92.92, 90
R / Rfree (%) 21 / 24.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18 (pdb code 6zos). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18, PDB code: 6zos:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 6zos

Go back to Fluorine Binding Sites List in 6zos
Fluorine binding site 1 out of 4 in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:72.2
occ:1.00
F1 A:QNK601 0.0 72.2 1.0
C23 A:QNK601 1.4 67.8 1.0
C22 A:QNK601 2.4 63.3 1.0
O A:ASN532 3.4 77.2 1.0
C21 A:QNK601 3.5 56.3 1.0
CD2 A:LEU539 3.9 63.7 1.0
C A:ASN532 3.9 79.2 1.0
O A:VAL534 4.3 77.4 1.0
N4 A:QNK601 4.3 50.4 1.0
N A:PRO535 4.4 69.1 1.0
C A:VAL534 4.4 76.1 1.0
CA A:PRO535 4.4 67.2 1.0
CB A:ASN532 4.5 75.6 1.0
N A:VAL533 4.5 73.9 1.0
C A:VAL533 4.5 76.6 1.0
CA A:ASN532 4.6 77.2 1.0
C20 A:QNK601 4.6 47.5 1.0
N A:VAL534 4.6 72.5 1.0
CA A:VAL533 4.7 73.1 1.0
O A:VAL533 4.7 76.6 1.0
CB A:PRO535 4.9 69.2 1.0

Fluorine binding site 2 out of 4 in 6zos

Go back to Fluorine Binding Sites List in 6zos
Fluorine binding site 2 out of 4 in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:40.8
occ:1.00
F A:QNK601 0.0 40.8 1.0
C12 A:QNK601 1.4 39.8 1.0
C11 A:QNK601 2.4 37.5 1.0
C14 A:QNK601 2.4 38.8 1.0
C13 A:QNK601 2.4 39.0 1.0
N2 A:QNK601 3.0 35.6 1.0
C1 A:QNK601 3.2 34.9 1.0
CE A:MET388 3.4 37.4 1.0
CA A:GLY521 3.5 47.7 1.0
CD2 A:LEU384 3.9 39.7 1.0
CG2 A:ILE424 4.0 50.6 1.0
C A:QNK601 4.1 29.8 1.0
CD1 A:LEU384 4.1 39.3 1.0
C A:GLY521 4.2 51.5 1.0
O A:GLY521 4.3 50.5 1.0
C2 A:QNK601 4.3 36.7 1.0
CD1 A:ILE424 4.4 55.2 1.0
C10 A:QNK601 4.4 35.5 1.0
CG A:LEU384 4.5 41.0 1.0
N A:GLY521 4.6 46.8 1.0
C15 A:QNK601 4.8 32.7 1.0
N5 A:QNK601 4.9 35.2 1.0
CB A:ILE424 4.9 50.6 1.0
CG1 A:ILE424 5.0 50.0 1.0

Fluorine binding site 3 out of 4 in 6zos

Go back to Fluorine Binding Sites List in 6zos
Fluorine binding site 3 out of 4 in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:67.0
occ:1.00
F1 B:QNK601 0.0 67.0 1.0
C23 B:QNK601 1.4 62.5 1.0
C22 B:QNK601 2.4 58.0 1.0
C21 B:QNK601 2.8 52.7 1.0
CD2 B:LEU539 3.0 64.2 1.0
CA B:PRO535 3.3 62.1 1.0
CB B:PRO535 3.3 64.0 1.0
N B:PRO535 3.7 63.0 1.0
CD2 B:LEU354 4.0 57.5 1.0
N4 B:QNK601 4.0 51.5 1.0
CD B:PRO535 4.1 64.4 1.0
CG B:PRO535 4.1 68.4 1.0
CG B:LEU539 4.4 60.9 1.0
C B:VAL534 4.5 70.3 1.0
OD1 B:ASP351 4.5 57.0 1.0
C B:PRO535 4.6 64.3 1.0
O B:VAL534 4.7 70.4 1.0
N B:SER536 4.9 60.5 1.0
C24 B:QNK601 5.0 45.8 1.0

Fluorine binding site 4 out of 4 in 6zos

Go back to Fluorine Binding Sites List in 6zos
Fluorine binding site 4 out of 4 in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Oestrogen Receptor Ligand Binding Domain in Complex with Compound 18 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:49.0
occ:1.00
F B:QNK601 0.0 49.0 1.0
C12 B:QNK601 1.4 47.5 1.0
C11 B:QNK601 2.4 42.1 1.0
C14 B:QNK601 2.4 47.0 1.0
C13 B:QNK601 2.4 46.5 1.0
N2 B:QNK601 3.1 39.1 1.0
C1 B:QNK601 3.3 35.2 1.0
CE B:MET388 3.4 38.0 1.0
CA B:GLY521 3.5 44.4 1.0
C B:QNK601 4.1 31.5 1.0
CD2 B:LEU384 4.3 38.4 1.0
CD1 B:LEU384 4.3 34.9 1.0
C B:GLY521 4.3 48.9 1.0
O B:GLY521 4.5 49.3 1.0
C2 B:QNK601 4.5 35.8 1.0
C10 B:QNK601 4.5 39.9 1.0
N B:GLY521 4.6 43.5 1.0
CB B:ILE424 4.7 51.7 1.0
CG B:LEU384 4.7 35.9 1.0
C15 B:QNK601 4.9 38.9 1.0

Reference:

J.S.Scott, J.Breed. N/A N/A.
Page generated: Tue Jul 15 18:19:50 2025

Last articles

Zr in 1XC1
Zr in 6Y7P
Zr in 6GNL
Zr in 6HYB
Zr in 4XYY
Zr in 5KHP
Zn in 9VXG
Zn in 9VWY
Zn in 9VCL
Zn in 9VKN
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy