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Chlorine in PDB 1nax: Thyroid Receptor BETA1 in Complex with A Beta-Selective Ligand

Protein crystallography data

The structure of Thyroid Receptor BETA1 in Complex with A Beta-Selective Ligand, PDB code: 1nax was solved by L.Ye, Y.L.Li, K.Mellstrom, C.Mellin, L.G.Bladh, K.Koehler, N.Garg, A.M.Garcia Collazo, C.Litten, B.Husman, K.Persson, J.Ljunggren, G.Grover, P.G.Sleph, R.George, J.Malm, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.26 / 2.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 76.520, 107.743, 66.896, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Thyroid Receptor BETA1 in Complex with A Beta-Selective Ligand (pdb code 1nax). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Thyroid Receptor BETA1 in Complex with A Beta-Selective Ligand, PDB code: 1nax:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1nax

Go back to Chlorine Binding Sites List in 1nax
Chlorine binding site 1 out of 2 in the Thyroid Receptor BETA1 in Complex with A Beta-Selective Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thyroid Receptor BETA1 in Complex with A Beta-Selective Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:36.8
occ:1.00
CL5 A:IH5501 0.0 36.8 1.0
C05 A:IH5501 1.7 34.7 1.0
C03 A:IH5501 2.7 36.3 1.0
C07 A:IH5501 2.7 34.7 1.0
O2 A:IH5501 3.1 34.6 1.0
CG1 A:ILE275 3.6 32.5 1.0
C2 A:IH5501 3.7 31.0 1.0
CD1 A:LEU330 3.9 29.2 1.0
CD1 A:ILE275 3.9 35.6 1.0
CA A:ILE276 4.0 28.9 1.0
O A:PHE272 4.0 28.6 1.0
C01 A:IH5501 4.1 38.2 1.0
C09 A:IH5501 4.1 35.9 1.0
C4 A:IH5501 4.1 28.6 1.0
N A:ILE276 4.2 29.1 1.0
CB A:ILE276 4.2 28.9 1.0
CB A:LEU330 4.3 30.9 1.0
O A:ILE275 4.4 31.4 1.0
C A:ILE275 4.4 30.5 1.0
CG1 A:ILE276 4.5 27.6 1.0
C12 A:IH5501 4.6 26.4 1.0
C11 A:IH5501 4.6 36.7 1.0
CG A:LEU330 4.6 28.9 1.0
CD1 A:ILE276 4.6 28.3 1.0
CB A:ILE275 4.9 31.8 1.0
C A:PHE272 4.9 28.6 1.0
CB A:ALA279 4.9 23.6 1.0

Chlorine binding site 2 out of 2 in 1nax

Go back to Chlorine Binding Sites List in 1nax
Chlorine binding site 2 out of 2 in the Thyroid Receptor BETA1 in Complex with A Beta-Selective Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Thyroid Receptor BETA1 in Complex with A Beta-Selective Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:36.9
occ:1.00
CL6 A:IH5501 0.0 36.9 1.0
C09 A:IH5501 1.7 35.9 1.0
C11 A:IH5501 2.7 36.7 1.0
C07 A:IH5501 2.8 34.7 1.0
O2 A:IH5501 3.0 34.6 1.0
C12 A:IH5501 3.6 26.4 1.0
C2 A:IH5501 3.6 31.0 1.0
CD1 A:ILE353 3.7 21.5 1.0
C01 A:IH5501 4.0 38.2 1.0
CE A:MET310 4.1 26.8 1.0
C05 A:IH5501 4.1 34.7 1.0
CD2 A:LEU330 4.3 27.6 1.0
CB A:ALA317 4.3 23.2 1.0
CD1 A:LEU346 4.3 19.1 1.0
CA A:SER314 4.4 24.4 1.0
OG A:SER314 4.4 26.9 1.0
SD A:MET310 4.5 28.9 1.0
O A:MET313 4.6 26.8 1.0
C03 A:IH5501 4.6 36.3 1.0
CD2 A:LEU341 4.7 26.4 1.0
N A:SER314 4.7 23.8 1.0
C A:MET313 4.8 24.9 1.0
C10 A:IH5501 4.8 26.3 1.0
C4 A:IH5501 4.9 28.6 1.0
CB A:SER314 5.0 26.2 1.0
CG1 A:ILE353 5.0 23.3 1.0

Reference:

L.Ye, Y.L.Li, K.Mellstrom, C.Mellin, L.G.Bladh, K.Koehler, N.Garg, A.M.Garcia Collazo, C.Litten, B.Husman, K.Persson, J.Ljunggren, G.Grover, P.G.Sleph, R.George, J.Malm. Thyroid Receptor Ligands. 1. Agonist Ligands Selective For the Thyroid Receptor BETA1. J.Med.Chem. V. 46 1580 2003.
ISSN: ISSN 0022-2623
PubMed: 12699376
DOI: 10.1021/JM021080F
Page generated: Sat Dec 12 08:43:23 2020

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