Chlorine in PDB 5mk4: Crystal Structure of the Retinoid X Receptor Alpha in Complex with Synthetic Honokiol Derivative 7 and A Fragment of the TIF2 Co- Activator.

The structure of Crystal Structure of the Retinoid X Receptor Alpha in Complex with Synthetic Honokiol Derivative 7 and A Fragment of the TIF2 Co- Activator., PDB code: 5mk4 was solved by S.A.Andrei, M.Scheepstra, L.Brunsveld, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.39 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.699, 74.140, 99.210, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of the Retinoid X Receptor Alpha in Complex with Synthetic Honokiol Derivative 7 and A Fragment of the TIF2 Co- Activator. (pdb code 5mk4). 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 Retinoid X Receptor Alpha in Complex with Synthetic Honokiol Derivative 7 and A Fragment of the TIF2 Co- Activator., PDB code: 5mk4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Retinoid X Receptor Alpha in Complex with Synthetic Honokiol Derivative 7 and A Fragment of the TIF2 Co- Activator.


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 Retinoid X Receptor Alpha in Complex with Synthetic Honokiol Derivative 7 and A Fragment of the TIF2 Co- Activator. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:32.3 occ:1.00 O C:HOH677 3.0 25.2 1.0 O A:HOH723 3.1 33.8 1.0 NH1 A:ARG393 3.1 22.2 1.0 NH2 C:ARG421 3.2 26.0 1.0 O A:HOH719 3.3 27.2 1.0 CD A:ARG393 3.4 27.5 1.0 CB C:LEU420 3.9 26.9 1.0 CZ A:ARG393 4.0 19.8 1.0 NE A:ARG393 4.1 26.3 1.0 CG A:PRO378 4.2 30.7 1.0 CZ C:ARG421 4.3 31.9 1.0 O C:HOH617 4.4 37.7 1.0 O C:LEU420 4.4 22.1 1.0 CD A:PRO378 4.6 26.8 1.0 CD1 C:LEU420 4.6 27.9 1.0 NE C:ARG421 4.7 27.4 1.0 CG A:ARG393 4.7 27.1 1.0 OE2 A:GLU390 4.8 63.2 1.0 C C:LEU420 4.8 22.4 1.0 CG C:LEU420 4.8 30.0 1.0 CG A:GLU390 4.9 48.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Retinoid X Receptor Alpha in Complex with Synthetic Honokiol Derivative 7 and A Fragment of the TIF2 Co- Activator.


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 Retinoid X Receptor Alpha in Complex with Synthetic Honokiol Derivative 7 and A Fragment of the TIF2 Co- Activator. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl502 b:29.6 occ:0.98 NH1 C:ARG393 3.1 27.3 1.0 O A:HOH668 3.1 23.3 1.0 NH2 A:ARG421 3.1 29.0 1.0 O C:HOH675 3.3 45.1 1.0 O C:HOH709 3.4 35.7 1.0 CD C:ARG393 3.5 31.4 1.0 CB A:LEU420 3.9 24.1 1.0 CZ C:ARG393 4.0 27.7 1.0 CG C:PRO378 4.1 27.6 1.0 O A:HOH604 4.2 42.8 1.0 NE C:ARG393 4.2 29.2 1.0 O A:LEU420 4.2 25.5 1.0 CZ A:ARG421 4.3 27.2 1.0 CD C:PRO378 4.5 23.9 1.0 NE A:ARG421 4.6 23.4 1.0 CD1 A:LEU420 4.7 28.1 1.0 C A:LEU420 4.7 26.1 1.0 CG C:ARG393 4.8 28.1 1.0 CG A:LEU420 4.9 26.4 1.0 O C:HOH696 5.0 30.7 1.0 CA A:LEU420 5.0 21.5 1.0

M.Scheepstra, S.A.Andrei, R.M.J.M.De Vries, F.A.Meijer, J.N.Ma, E.S.Burstein, R.Olsson, C.Ottmann, L.G.Milroy, L.Brunsveld. Ligand Dependent Switch From Rxr Homo- to Rxr-NURR1 Heterodimerization. Acs Chem Neurosci V. 8 2065 2017.
ISSN: ESSN 1948-7193
PubMed: 28691794
DOI: 10.1021/ACSCHEMNEURO.7B00216