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

Fluorine in PDB 6zor: Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28

Protein crystallography data

The structure of Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28, PDB code: 6zor was solved by J.Breed, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.08 / 1.97
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 106.56, 52.5, 86.01, 90, 93.06, 90
R / Rfree (%) 21.2 / 22.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28 (pdb code 6zor). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28, PDB code: 6zor:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6zor

Go back to Fluorine Binding Sites List in 6zor
Fluorine binding site 1 out of 6 in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28


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 28 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:60.5
occ:1.00
F2 A:QNH601 0.0 60.5 1.0
C12 A:QNH601 1.3 60.2 1.0
F A:QNH601 2.1 60.6 1.0
F1 A:QNH601 2.1 59.7 1.0
C11 A:QNH601 2.4 58.2 1.0
N2 A:QNH601 3.0 56.4 1.0
CD1 A:LEU525 3.3 54.8 1.0
CG A:LEU525 3.5 56.4 1.0
CD1 A:LEU384 3.6 38.3 1.0
N3 A:QNH601 3.6 57.5 1.0
CD2 A:LEU525 3.6 59.3 1.0
CD2 A:LEU384 3.7 42.3 1.0
O A:GLY521 3.8 46.5 1.0
C13 A:QNH601 3.8 56.3 1.0
C1 A:QNH601 4.0 56.4 1.0
CA A:GLY521 4.0 39.8 1.0
C10 A:QNH601 4.0 56.5 1.0
C A:GLY521 4.1 44.8 1.0
C17 A:QNH601 4.1 58.2 1.0
CG A:LEU384 4.2 38.5 1.0
C14 A:QNH601 4.6 55.4 1.0
C2 A:QNH601 4.9 57.0 1.0
C16 A:QNH601 4.9 60.2 1.0
N A:MET522 4.9 41.2 1.0
CB A:LEU525 5.0 53.2 1.0

Fluorine binding site 2 out of 6 in 6zor

Go back to Fluorine Binding Sites List in 6zor
Fluorine binding site 2 out of 6 in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28


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 28 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:59.7
occ:1.00
F1 A:QNH601 0.0 59.7 1.0
C12 A:QNH601 1.3 60.2 1.0
F A:QNH601 2.1 60.6 1.0
F2 A:QNH601 2.1 60.5 1.0
C11 A:QNH601 2.4 58.2 1.0
N2 A:QNH601 3.0 56.4 1.0
C1 A:QNH601 3.1 56.4 1.0
CA A:GLY521 3.3 39.8 1.0
CE A:MET388 3.4 35.0 1.0
C A:QNH601 3.9 56.9 1.0
CD1 A:LEU384 4.0 38.3 1.0
CD2 A:LEU384 4.0 42.3 1.0
C2 A:QNH601 4.2 57.0 1.0
C A:GLY521 4.2 44.8 1.0
CG2 A:ILE424 4.3 49.0 1.0
O A:GLY521 4.4 46.5 1.0
C10 A:QNH601 4.4 56.5 1.0
CG A:LEU384 4.4 38.5 1.0
CD1 A:ILE424 4.4 57.5 1.0
N A:GLY521 4.5 39.5 1.0
C13 A:QNH601 4.9 56.3 1.0
N3 A:QNH601 4.9 57.5 1.0

Fluorine binding site 3 out of 6 in 6zor

Go back to Fluorine Binding Sites List in 6zor
Fluorine binding site 3 out of 6 in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28


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 28 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:60.6
occ:1.00
F A:QNH601 0.0 60.6 1.0
C12 A:QNH601 1.3 60.2 1.0
F1 A:QNH601 2.1 59.7 1.0
F2 A:QNH601 2.1 60.5 1.0
C11 A:QNH601 2.4 58.2 1.0
O A:GLY521 3.5 46.5 1.0
CA A:GLY521 3.6 39.8 1.0
N2 A:QNH601 3.7 56.4 1.0
C A:GLY521 4.0 44.8 1.0
ND1 A:HIS524 4.0 63.2 1.0
CD2 A:LEU525 4.1 59.3 1.0
CG A:LEU525 4.1 56.4 1.0
CD1 A:ILE424 4.1 57.5 1.0
CG A:HIS524 4.2 61.1 1.0
CB A:HIS524 4.3 56.2 1.0
C1 A:QNH601 4.4 56.4 1.0
CE1 A:HIS524 4.6 63.7 1.0
CD1 A:LEU525 4.7 54.8 1.0
C10 A:QNH601 4.8 56.5 1.0
C A:QNH601 4.9 56.9 1.0
C13 A:QNH601 4.9 56.3 1.0
N A:GLY521 4.9 39.5 1.0
CD2 A:HIS524 4.9 64.3 1.0

Fluorine binding site 4 out of 6 in 6zor

Go back to Fluorine Binding Sites List in 6zor
Fluorine binding site 4 out of 6 in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28


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 28 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:59.4
occ:1.00
F2 B:QNH601 0.0 59.4 1.0
C12 B:QNH601 1.3 58.9 1.0
F1 B:QNH601 2.1 59.1 1.0
F B:QNH601 2.1 59.1 1.0
C11 B:QNH601 2.4 55.4 1.0
N2 B:QNH601 2.9 52.4 1.0
N3 B:QNH601 3.2 53.4 1.0
CD2 B:LEU525 3.3 62.6 1.0
C13 B:QNH601 3.4 53.7 1.0
CD1 B:LEU525 3.5 64.1 1.0
C17 B:QNH601 3.7 55.4 1.0
C10 B:QNH601 3.7 51.9 1.0
CD1 B:LEU384 3.8 38.0 1.0
C1 B:QNH601 3.9 49.6 1.0
CD2 B:LEU384 4.0 40.7 1.0
CG B:LEU525 4.0 63.3 1.0
C14 B:QNH601 4.1 55.8 1.0
O B:GLY521 4.3 45.8 1.0
CA B:GLY521 4.3 39.8 1.0
C16 B:QNH601 4.3 58.9 1.0
C B:GLY521 4.5 44.7 1.0
C15 B:QNH601 4.5 57.9 1.0
CG B:LEU384 4.6 37.2 1.0
C2 B:QNH601 4.8 47.6 1.0
C4 B:QNH601 4.9 47.4 1.0

Fluorine binding site 5 out of 6 in 6zor

Go back to Fluorine Binding Sites List in 6zor
Fluorine binding site 5 out of 6 in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:59.1
occ:1.00
F1 B:QNH601 0.0 59.1 1.0
C12 B:QNH601 1.3 58.9 1.0
F2 B:QNH601 2.1 59.4 1.0
F B:QNH601 2.1 59.1 1.0
C11 B:QNH601 2.4 55.4 1.0
N2 B:QNH601 3.0 52.4 1.0
C1 B:QNH601 3.3 49.6 1.0
CA B:GLY521 3.4 39.8 1.0
CE B:MET388 3.4 36.7 1.0
CG2 B:ILE424 4.0 51.5 1.0
C B:QNH601 4.1 48.5 1.0
CD1 B:LEU384 4.2 38.0 1.0
CD2 B:LEU384 4.2 40.7 1.0
C B:GLY521 4.3 44.7 1.0
C10 B:QNH601 4.4 51.9 1.0
C2 B:QNH601 4.4 47.6 1.0
O B:GLY521 4.4 45.8 1.0
CD1 B:ILE424 4.5 63.0 1.0
N B:GLY521 4.6 39.1 1.0
CG B:LEU384 4.7 37.2 1.0
C13 B:QNH601 4.7 53.7 1.0
N3 B:QNH601 4.8 53.4 1.0
CG1 B:ILE424 5.0 53.0 1.0

Fluorine binding site 6 out of 6 in 6zor

Go back to Fluorine Binding Sites List in 6zor
Fluorine binding site 6 out of 6 in the Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Oestrogen Receptor Ligand Binding Domain in Complex with Compound 28 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:59.1
occ:1.00
F B:QNH601 0.0 59.1 1.0
C12 B:QNH601 1.3 58.9 1.0
F1 B:QNH601 2.1 59.1 1.0
F2 B:QNH601 2.1 59.4 1.0
C11 B:QNH601 2.4 55.4 1.0
CD1 B:LEU525 3.4 64.1 1.0
N2 B:QNH601 3.7 52.4 1.0
O B:GLY521 3.7 45.8 1.0
CA B:GLY521 3.8 39.8 1.0
ND1 B:HIS524 3.8 69.5 1.0
C B:GLY521 4.1 44.7 1.0
CD1 B:ILE424 4.2 63.0 1.0
SD B:MET421 4.3 80.0 1.0
CG B:HIS524 4.3 67.6 1.0
CB B:HIS524 4.3 62.2 1.0
CD2 B:LEU525 4.4 62.6 1.0
CG B:LEU525 4.5 63.3 1.0
C1 B:QNH601 4.5 49.6 1.0
CE1 B:HIS524 4.6 70.1 1.0
C13 B:QNH601 4.6 53.7 1.0
C10 B:QNH601 4.6 51.9 1.0
C14 B:QNH601 4.9 55.8 1.0
N3 B:QNH601 4.9 53.4 1.0
N B:LEU525 4.9 61.2 1.0

Reference:

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

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy