Atomistry » Fluorine » PDB 6pf9-6q0j » 6pfm
Atomistry »
  Fluorine »
    PDB 6pf9-6q0j »
      6pfm »

Fluorine in PDB 6pfm: Crystal Structure of Gdc-0927 Bound to Estrogen Receptor Alpha

Protein crystallography data

The structure of Crystal Structure of Gdc-0927 Bound to Estrogen Receptor Alpha, PDB code: 6pfm was solved by J.R.Kiefer, M.Vinogradova, J.Liang, B.Zhang, X.Wang, J.R.Zbieg, S.S.Labadie, J.Li, N.C.Ray, D.Ortwine, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.95 / 2.84
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 144.106, 144.106, 171.064, 90.00, 90.00, 120.00
R / Rfree (%) 20.9 / 24.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Gdc-0927 Bound to Estrogen Receptor Alpha (pdb code 6pfm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Gdc-0927 Bound to Estrogen Receptor Alpha, PDB code: 6pfm:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6pfm

Go back to Fluorine Binding Sites List in 6pfm
Fluorine binding site 1 out of 2 in the Crystal Structure of Gdc-0927 Bound to Estrogen Receptor Alpha


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 Gdc-0927 Bound to Estrogen Receptor Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F601

b:97.0
occ:1.00
F28 D:OGJ601 0.0 97.0 1.0
C27 D:OGJ601 1.4 83.7 1.0
H26 D:OGJ601 2.0 84.9 1.0
H25 D:OGJ601 2.0 85.1 1.0
C25 D:OGJ601 2.3 77.8 1.0
H20 D:OGJ601 2.7 75.7 1.0
H22 D:OGJ601 2.7 77.9 1.0
C24 D:OGJ601 2.9 76.1 1.0
H21 D:OGJ601 3.4 75.7 1.0
C26 D:OGJ601 3.6 76.5 1.0
H23 D:OGJ601 3.8 75.5 1.0
N23 D:OGJ601 4.0 73.0 1.0
H18 D:OGJ601 4.2 66.8 1.0
HD22 D:LEU354 4.3 62.5 1.0
HZ2 D:TRP383 4.3 59.3 1.0
H24 D:OGJ601 4.4 75.5 1.0
C22 D:OGJ601 4.5 66.6 1.0
CZ2 D:TRP383 4.6 57.6 1.0
HD23 D:LEU354 4.6 63.5 1.0
HE1 D:TRP383 4.8 60.5 1.0
CE2 D:TRP383 4.8 57.3 1.0
H17 D:OGJ601 4.9 66.7 1.0
CD2 D:LEU354 4.9 62.5 1.0
NE1 D:TRP383 4.9 59.3 1.0

Fluorine binding site 2 out of 2 in 6pfm

Go back to Fluorine Binding Sites List in 6pfm
Fluorine binding site 2 out of 2 in the Crystal Structure of Gdc-0927 Bound to Estrogen Receptor Alpha


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 Gdc-0927 Bound to Estrogen Receptor Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:0.3
occ:1.00
F28 A:OGJ601 0.0 0.3 1.0
C27 A:OGJ601 1.4 0.0 1.0
H25 A:OGJ601 2.0 0.6 1.0
H26 A:OGJ601 2.0 0.7 1.0
C25 A:OGJ601 2.4 0.1 1.0
H22 A:OGJ601 2.6 0.7 1.0
H20 A:OGJ601 2.9 0.2 1.0
C24 A:OGJ601 3.1 0.3 1.0
C26 A:OGJ601 3.7 0.7 1.0
H21 A:OGJ601 3.7 0.3 1.0
H23 A:OGJ601 3.8 0.9 1.0
H18 A:OGJ601 4.0 90.0 1.0
N23 A:OGJ601 4.1 0.6 1.0
H24 A:OGJ601 4.4 0.0 1.0
C22 A:OGJ601 4.5 89.5 1.0
OD2 A:ASP351 4.6 98.6 1.0
H17 A:OGJ601 4.7 89.5 1.0
HD23 A:LEU354 4.8 0.1 1.0

Reference:

S.S.Labadie, J.Li, R.A.Blake, J.H.Chang, S.Goodacre, S.J.Hartman, W.Liang, J.R.Kiefer, T.Kleinheinz, T.Lai, J.Liao, D.F.Ortwine, V.Mody, N.C.Ray, F.Roussel, M.Vinogradova, S.K.Yeap, B.Zhang, X.Zheng, J.R.Zbieg, J.Liang, X.Wang. Discovery of A C-8 Hydroxychromene As A Potent Degrader of Estrogen Receptor Alpha with Improved Rat Oral Exposure Over Gdc-0927. Bioorg.Med.Chem.Lett. V. 29 2090 2019.
ISSN: ESSN 1464-3405
PubMed: 31311734
DOI: 10.1016/J.BMCL.2019.07.013
Page generated: Fri Aug 2 00:25:35 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy