Atomistry » Fluorine » PDB 2oh4-2pdk » 2p15
Atomistry »
  Fluorine »
    PDB 2oh4-2pdk »
      2p15 »

Fluorine in PDB 2p15: Crystal Structure of the Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol

Protein crystallography data

The structure of Crystal Structure of the Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol, PDB code: 2p15 was solved by J.B.Bruning, K.W.Nettles, G.L.Greene, Y.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.71 / 1.94
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 56.052, 84.220, 58.693, 90.00, 109.59, 90.00
R / Rfree (%) 15.8 / 21.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol (pdb code 2p15). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of the Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol, PDB code: 2p15:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 2p15

Go back to Fluorine Binding Sites List in 2p15
Fluorine binding site 1 out of 6 in the Crystal Structure of the Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol


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 Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F600

b:24.8
occ:1.00
F02 A:EZT600 0.0 24.8 1.0
C27 A:EZT600 1.3 23.6 1.0
F03 A:EZT600 2.1 23.6 1.0
F01 A:EZT600 2.2 21.4 1.0
C26 A:EZT600 2.3 20.8 1.0
C25 A:EZT600 2.6 22.8 1.0
CD1 A:PHE425 3.4 18.8 1.0
CD1 A:LEU402 3.6 15.5 1.0
CZ A:PHE404 3.7 16.7 1.0
C21 A:EZT600 3.7 21.6 1.0
CA A:PHE425 3.8 14.9 1.0
CG A:PHE425 3.9 16.1 1.0
CB A:PHE425 3.9 14.9 1.0
C24 A:EZT600 4.0 23.1 1.0
CE1 A:PHE425 4.1 21.5 1.0
CD1 A:LEU428 4.1 10.7 1.0
N A:PHE425 4.2 14.6 1.0
CE2 A:PHE404 4.2 16.5 1.0
C20 A:EZT600 4.2 20.6 1.0
C22 A:EZT600 4.8 23.4 1.0
CE1 A:PHE404 4.8 16.4 1.0
O A:MET421 4.8 17.9 1.0
CD2 A:PHE425 4.9 17.0 1.0
C A:ILE424 4.9 14.2 1.0
C23 A:EZT600 4.9 22.5 1.0

Fluorine binding site 2 out of 6 in 2p15

Go back to Fluorine Binding Sites List in 2p15
Fluorine binding site 2 out of 6 in the Crystal Structure of the Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol


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 Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F600

b:23.6
occ:1.00
F03 A:EZT600 0.0 23.6 1.0
C27 A:EZT600 1.3 23.6 1.0
F02 A:EZT600 2.1 24.8 1.0
F01 A:EZT600 2.1 21.4 1.0
C26 A:EZT600 2.4 20.8 1.0
C21 A:EZT600 3.1 21.6 1.0
C20 A:EZT600 3.2 20.6 1.0
C25 A:EZT600 3.4 22.8 1.0
CG2 A:ILE424 3.5 13.8 1.0
N A:PHE425 3.5 14.6 1.0
O A:MET421 3.6 17.9 1.0
CB A:ILE424 3.7 14.7 1.0
CB A:MET421 3.9 20.0 1.0
CA A:PHE425 3.9 14.9 1.0
C A:ILE424 3.9 14.2 1.0
CB A:PHE425 4.2 14.9 1.0
CD1 A:LEU428 4.3 10.7 1.0
CA A:ILE424 4.4 14.6 1.0
C22 A:EZT600 4.4 23.4 1.0
C A:MET421 4.5 18.5 1.0
C19 A:EZT600 4.5 20.6 1.0
CG A:MET421 4.6 21.4 1.0
O A:ILE424 4.6 13.2 1.0
CA A:MET421 4.6 19.2 1.0
C15 A:EZT600 4.6 18.0 1.0
C24 A:EZT600 4.6 23.1 1.0
C16 A:EZT600 4.6 19.9 1.0
CD1 A:PHE425 4.7 18.8 1.0
SD A:MET421 4.7 29.4 1.0
CG A:PHE425 4.8 16.1 1.0
CG1 A:ILE424 4.9 12.9 1.0
C14 A:EZT600 5.0 17.1 1.0
CD1 A:ILE424 5.0 13.3 1.0

Fluorine binding site 3 out of 6 in 2p15

Go back to Fluorine Binding Sites List in 2p15
Fluorine binding site 3 out of 6 in the Crystal Structure of the Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol


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 Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F600

b:21.4
occ:1.00
F01 A:EZT600 0.0 21.4 1.0
C27 A:EZT600 1.3 23.6 1.0
F03 A:EZT600 2.1 23.6 1.0
F02 A:EZT600 2.2 24.8 1.0
C26 A:EZT600 2.4 20.8 1.0
C20 A:EZT600 3.0 20.6 1.0
C21 A:EZT600 3.0 21.6 1.0
C25 A:EZT600 3.5 22.8 1.0
C14 A:EZT600 3.6 17.1 1.0
CZ A:PHE404 3.6 16.7 1.0
C7 A:EZT600 3.7 17.5 1.0
CD1 A:LEU428 3.8 10.7 1.0
C15 A:EZT600 3.8 18.0 1.0
C19 A:EZT600 3.9 20.6 1.0
CE1 A:PHE404 4.1 16.4 1.0
C8 A:EZT600 4.1 16.1 1.0
C16 A:EZT600 4.3 19.9 1.0
C22 A:EZT600 4.4 23.4 1.0
CG2 A:ILE424 4.4 13.8 1.0
C9 A:EZT600 4.6 16.1 1.0
C17 A:EZT600 4.6 19.2 1.0
CE2 A:PHE404 4.7 16.5 1.0
C24 A:EZT600 4.7 23.1 1.0
C13 A:EZT600 4.7 18.4 1.0
CD1 A:LEU346 4.9 13.2 1.0
C6 A:EZT600 5.0 15.3 1.0

Fluorine binding site 4 out of 6 in 2p15

Go back to Fluorine Binding Sites List in 2p15
Fluorine binding site 4 out of 6 in the Crystal Structure of the Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol


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 Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:20.3
occ:1.00
F02 B:EZT601 0.0 20.3 1.0
C27 B:EZT601 1.3 19.5 1.0
F03 B:EZT601 2.1 21.4 1.0
F01 B:EZT601 2.2 19.6 1.0
C26 B:EZT601 2.4 18.1 1.0
C25 B:EZT601 2.6 18.1 1.0
CD1 B:PHE425 3.2 13.6 1.0
CD1 B:LEU402 3.5 11.8 1.0
CZ B:PHE404 3.6 11.1 1.0
CA B:PHE425 3.6 13.0 1.0
C21 B:EZT601 3.7 18.2 1.0
CG B:PHE425 3.8 13.7 1.0
CB B:PHE425 3.8 12.9 1.0
CD1 B:LEU428 3.9 10.6 1.0
C24 B:EZT601 4.0 18.3 1.0
CE1 B:PHE425 4.0 16.8 1.0
N B:PHE425 4.1 12.0 1.0
C20 B:EZT601 4.3 15.9 1.0
CE2 B:PHE404 4.4 13.8 1.0
CG B:MET421 4.5 28.8 1.0
CE1 B:PHE404 4.6 11.3 1.0
C22 B:EZT601 4.8 17.3 1.0
C B:ILE424 4.8 13.2 1.0
CD2 B:PHE425 4.9 14.8 1.0
C23 B:EZT601 4.9 17.0 1.0
O B:MET421 4.9 19.6 1.0
CG2 B:ILE424 5.0 10.2 1.0
CG B:LEU402 5.0 10.8 1.0

Fluorine binding site 5 out of 6 in 2p15

Go back to Fluorine Binding Sites List in 2p15
Fluorine binding site 5 out of 6 in the Crystal Structure of the Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol


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 Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:21.4
occ:1.00
F03 B:EZT601 0.0 21.4 1.0
C27 B:EZT601 1.3 19.5 1.0
F02 B:EZT601 2.1 20.3 1.0
F01 B:EZT601 2.2 19.6 1.0
C26 B:EZT601 2.3 18.1 1.0
C21 B:EZT601 3.1 18.2 1.0
C20 B:EZT601 3.1 15.9 1.0
CG2 B:ILE424 3.3 10.2 1.0
C25 B:EZT601 3.4 18.1 1.0
N B:PHE425 3.5 12.0 1.0
CB B:ILE424 3.6 12.9 1.0
O B:MET421 3.7 19.6 1.0
CA B:PHE425 3.9 13.0 1.0
C B:ILE424 3.9 13.2 1.0
CD1 B:LEU428 4.1 10.6 1.0
CG B:MET421 4.1 28.8 1.0
CB B:PHE425 4.3 12.9 1.0
CA B:ILE424 4.3 12.7 1.0
C22 B:EZT601 4.3 17.3 1.0
C19 B:EZT601 4.4 16.0 1.0
O B:ILE424 4.5 12.1 1.0
C B:MET421 4.6 21.8 1.0
C24 B:EZT601 4.6 18.3 1.0
C15 B:EZT601 4.6 17.1 1.0
C16 B:EZT601 4.7 15.7 1.0
CD1 B:PHE425 4.7 13.6 1.0
CA B:MET421 4.8 23.5 1.0
CB B:MET421 4.8 23.7 1.0
C14 B:EZT601 4.9 15.0 1.0
CG1 B:ILE424 4.9 12.0 1.0
CG B:PHE425 4.9 13.7 1.0
C23 B:EZT601 5.0 17.0 1.0

Fluorine binding site 6 out of 6 in 2p15

Go back to Fluorine Binding Sites List in 2p15
Fluorine binding site 6 out of 6 in the Crystal Structure of the Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol


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 Er Alpha Ligand Binding Domain with the Agonist Ortho-Trifluoromethylphenylvinyl Estradiol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:19.6
occ:1.00
F01 B:EZT601 0.0 19.6 1.0
C27 B:EZT601 1.3 19.5 1.0
F03 B:EZT601 2.2 21.4 1.0
F02 B:EZT601 2.2 20.3 1.0
C26 B:EZT601 2.4 18.1 1.0
C20 B:EZT601 3.1 15.9 1.0
C21 B:EZT601 3.1 18.2 1.0
CD1 B:LEU428 3.5 10.6 1.0
C25 B:EZT601 3.5 18.1 1.0
CZ B:PHE404 3.5 11.1 1.0
C14 B:EZT601 3.6 15.0 1.0
C7 B:EZT601 3.8 15.6 1.0
CE1 B:PHE404 3.8 11.3 1.0
C15 B:EZT601 3.9 17.1 1.0
C19 B:EZT601 4.1 16.0 1.0
C8 B:EZT601 4.2 14.6 1.0
CG2 B:ILE424 4.3 10.2 1.0
C22 B:EZT601 4.5 17.3 1.0
C16 B:EZT601 4.5 15.7 1.0
C9 B:EZT601 4.6 16.6 1.0
C17 B:EZT601 4.7 16.9 1.0
C24 B:EZT601 4.7 18.3 1.0
CE2 B:PHE404 4.8 13.8 1.0
C13 B:EZT601 4.8 15.0 1.0
CD1 B:LEU402 4.8 11.8 1.0
CD2 B:LEU391 4.9 8.3 1.0
C6 B:EZT601 4.9 13.5 1.0

Reference:

K.W.Nettles, J.B.Bruning, G.Gil, E.E.O'neill, J.Nowak, Y.Guo, Y.Kim, E.R.Desombre, R.Dilis, R.N.Hanson, A.Joachimiak, G.L.Greene. Structural Plasticity in the Oestrogen Receptor Ligand-Binding Domain. Embo Rep. V. 8 563 2007.
ISSN: ISSN 1469-221X
PubMed: 17468738
DOI: 10.1038/SJ.EMBOR.7400963
Page generated: Sun Dec 13 11:38:44 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy