Atomistry » Chlorine » PDB 5dtk-5e1z » 5dwe
Atomistry »
  Chlorine »
    PDB 5dtk-5e1z »
      5dwe »

Chlorine in PDB 5dwe: Crystal Structure of the Er-Alpha Ligand-Binding Domain in Complex with A 2-Chloro-Substituted Triaryl-Imine Analog 4,4'-[(2- Chlorophenyl)Carbonimidoyl]Diphenol

Protein crystallography data

The structure of Crystal Structure of the Er-Alpha Ligand-Binding Domain in Complex with A 2-Chloro-Substituted Triaryl-Imine Analog 4,4'-[(2- Chlorophenyl)Carbonimidoyl]Diphenol, PDB code: 5dwe was solved by J.C.Nwachukwu, N.J.Wright, S.Srinivasan, Y.Zheng, S.Wang, J.Min, C.Dong, Z.Liao, V.Cavett, J.Nowak, R.Houtman, K.E.Carlson, J.S.Josan, O.Elemento, J.A.Katzenellenbogen, H.B.Zhou, K.W.Nettles, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.81 / 1.92
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.767, 82.038, 58.456, 90.00, 110.69, 90.00
R / Rfree (%) 19.9 / 23.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Er-Alpha Ligand-Binding Domain in Complex with A 2-Chloro-Substituted Triaryl-Imine Analog 4,4'-[(2- Chlorophenyl)Carbonimidoyl]Diphenol (pdb code 5dwe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Er-Alpha Ligand-Binding Domain in Complex with A 2-Chloro-Substituted Triaryl-Imine Analog 4,4'-[(2- Chlorophenyl)Carbonimidoyl]Diphenol, PDB code: 5dwe:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5dwe

Go back to Chlorine Binding Sites List in 5dwe
Chlorine binding site 1 out of 2 in the Crystal Structure of the Er-Alpha Ligand-Binding Domain in Complex with A 2-Chloro-Substituted Triaryl-Imine Analog 4,4'-[(2- Chlorophenyl)Carbonimidoyl]Diphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Er-Alpha Ligand-Binding Domain in Complex with A 2-Chloro-Substituted Triaryl-Imine Analog 4,4'-[(2- Chlorophenyl)Carbonimidoyl]Diphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl900

b:39.3
occ:1.00
CL1 A:5G5900 0.0 39.3 1.0
C01 A:5G5900 1.5 33.2 1.0
C02 A:5G5900 2.5 34.6 1.0
C06 A:5G5900 2.6 32.1 1.0
N01 A:5G5900 2.8 32.6 1.0
CE A:MET421 3.4 69.3 1.0
C03 A:5G5900 3.7 34.9 1.0
C05 A:5G5900 3.8 32.3 1.0
CZ A:PHE404 3.8 37.0 1.0
CE1 A:PHE404 4.0 35.3 1.0
C07 A:5G5900 4.0 30.1 1.0
CE1 A:PHE425 4.0 53.7 1.0
CD1 A:LEU428 4.2 39.8 1.0
C04 A:5G5900 4.3 34.0 1.0
SD A:MET421 4.4 95.3 1.0
CG2 A:ILE424 4.4 38.9 1.0
CD1 A:PHE425 4.5 51.8 1.0
CD1 A:LEU346 4.5 40.5 1.0
C15 A:5G5900 4.7 28.0 1.0
C08 A:5G5900 4.8 27.7 1.0
C09 A:5G5900 4.8 25.7 1.0
C14 A:5G5900 4.8 28.4 1.0

Chlorine binding site 2 out of 2 in 5dwe

Go back to Chlorine Binding Sites List in 5dwe
Chlorine binding site 2 out of 2 in the Crystal Structure of the Er-Alpha Ligand-Binding Domain in Complex with A 2-Chloro-Substituted Triaryl-Imine Analog 4,4'-[(2- Chlorophenyl)Carbonimidoyl]Diphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Er-Alpha Ligand-Binding Domain in Complex with A 2-Chloro-Substituted Triaryl-Imine Analog 4,4'-[(2- Chlorophenyl)Carbonimidoyl]Diphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl901

b:43.7
occ:1.00
CL1 B:5G5901 0.0 43.7 1.0
C01 B:5G5901 1.6 37.0 1.0
C02 B:5G5901 2.5 38.0 1.0
C06 B:5G5901 2.6 36.8 1.0
N01 B:5G5901 2.9 35.8 1.0
CZ B:PHE404 3.5 38.4 1.0
CE1 B:PHE404 3.7 36.8 1.0
C03 B:5G5901 3.8 37.7 1.0
C05 B:5G5901 3.9 36.8 1.0
CD1 B:LEU428 4.0 34.4 1.0
CE1 B:PHE425 4.0 55.2 1.0
C07 B:5G5901 4.0 34.5 1.0
CE B:MET421 4.3 63.6 1.0
C04 B:5G5901 4.4 37.2 1.0
CD1 B:LEU346 4.4 41.1 1.0
CD1 B:PHE425 4.4 54.0 1.0
CG2 B:ILE424 4.4 38.0 1.0
CE2 B:PHE404 4.8 39.6 1.0
C19 B:5G5901 4.8 30.1 1.0
C08 B:5G5901 4.8 35.0 1.0
C14 B:5G5901 4.9 31.1 1.0
C13 B:5G5901 4.9 34.2 1.0
CZ B:PHE425 5.0 56.4 1.0
CD1 B:PHE404 5.0 37.3 1.0

Reference:

J.C.Nwachukwu, S.Srinivasan, Y.Zheng, S.Wang, J.Min, C.Dong, Z.Liao, J.Nowak, N.J.Wright, R.Houtman, K.E.Carlson, J.S.Josan, O.Elemento, J.A.Katzenellenbogen, H.B.Zhou, K.W.Nettles. Predictive Features of Ligand-Specific Signaling Through the Estrogen Receptor. Mol.Syst.Biol. V. 12 864 2016.
ISSN: ESSN 1744-4292
PubMed: 27107013
DOI: 10.15252/MSB.20156701
Page generated: Sat Jul 12 01:26:54 2025

Last articles

Zn in 5OH1
Zn in 5OFS
Zn in 5OGN
Zn in 5OGP
Zn in 5OGO
Zn in 5OGJ
Zn in 5OGC
Zn in 5OG9
Zn in 5OEW
Zn in 5OFN
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy