Atomistry » Chlorine » PDB 7np2-7nwc » 7np5
Atomistry »
  Chlorine »
    PDB 7np2-7nwc »
      7np5 »

Chlorine in PDB 7np5: Ror(Gamma)T Ligand Binding Domain in Complex with Allosteric Ligand FM216

Protein crystallography data

The structure of Ror(Gamma)T Ligand Binding Domain in Complex with Allosteric Ligand FM216, PDB code: 7np5 was solved by G.J.M.Oerlemans, B.A.Somsen, R.M.J.M.De Vries, F.A.Meijer, L.Brunsveld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.70 / 1.55
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 108.223, 108.223, 98.797, 90, 90, 120
R / Rfree (%) 23.4 / 27

Other elements in 7np5:

The structure of Ror(Gamma)T Ligand Binding Domain in Complex with Allosteric Ligand FM216 also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ror(Gamma)T Ligand Binding Domain in Complex with Allosteric Ligand FM216 (pdb code 7np5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Ror(Gamma)T Ligand Binding Domain in Complex with Allosteric Ligand FM216, PDB code: 7np5:

Chlorine binding site 1 out of 1 in 7np5

Go back to Chlorine Binding Sites List in 7np5
Chlorine binding site 1 out of 1 in the Ror(Gamma)T Ligand Binding Domain in Complex with Allosteric Ligand FM216


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ror(Gamma)T Ligand Binding Domain in Complex with Allosteric Ligand FM216 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:34.6
occ:1.00
CL1 A:UKB601 0.0 34.6 1.0
C10 A:UKB601 1.7 28.7 1.0
C11 A:UKB601 2.6 33.9 1.0
C9 A:UKB601 2.7 28.5 1.0
C8 A:UKB601 3.0 27.3 1.0
C6 A:UKB601 3.3 25.9 1.0
C7 A:UKB601 3.3 27.5 1.0
C A:LEU324 3.5 30.4 1.0
N A:THR325 3.5 29.6 0.5
N A:THR325 3.6 29.6 0.5
CE A:MET358 3.6 33.3 1.0
CB A:LEU324 3.6 28.1 1.0
O A:LEU324 3.6 28.5 1.0
CG2 A:THR325 3.7 34.8 0.5
OG1 A:THR325 3.8 35.5 0.5
CA A:THR325 3.8 28.5 0.5
CA A:THR325 3.8 28.4 0.5
N1 A:UKB601 3.9 32.4 1.0
C12 A:UKB601 3.9 33.5 1.0
CG1 A:ILE328 3.9 27.8 1.0
C14 A:UKB601 4.0 34.3 1.0
CA A:LEU324 4.2 27.1 1.0
C16 A:UKB601 4.3 26.4 1.0
CD1 A:LEU483 4.4 33.3 1.0
CB A:THR325 4.4 32.9 0.5
C13 A:UKB601 4.4 32.2 1.0
CB A:THR325 4.4 33.7 0.5
O A:ALA321 4.5 31.7 1.0
O4 A:UKB601 4.6 30.6 1.0
O3 A:UKB601 4.7 27.9 1.0
CB A:ILE328 4.7 26.7 1.0
CG A:LEU324 4.9 32.9 1.0
CD1 A:ILE328 5.0 26.5 1.0

Reference:

F.A.Meijer, A.O.W.M.Saris, R.G.Doveston, G.J.M.Oerlemans, R.M.J.M.De Vries, B.A.Somsen, A.Unger, B.Klebl, C.Ottmann, P.J.Cossar, L.Brunsveld. Structure-Activity Relationship Studies of Trisubstituted Isoxazoles As Selective Allosteric Ligands For the Retinoic-Acid-Receptor-Related Orphan Receptor Gamma T. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 34008974
DOI: 10.1021/ACS.JMEDCHEM.1C00475
Page generated: Sun Jul 13 04:29:29 2025

Last articles

Mg in 6F6U
Mg in 6F5P
Mg in 6F6W
Mg in 6F5D
Mg in 6F45
Mg in 6F56
Mg in 6F3H
Mg in 6F3F
Mg in 6EZU
Mg in 6F3C
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy