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: Sun Jan 24 15:57:12 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy