Fluorine in PDB 5mwp: The Structure of Mr in Complex with AZD9977.

The structure of The Structure of Mr in Complex with AZD9977., PDB code: 5mwp was solved by K.Edman, A.Aagaard, S.Backstrom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.41 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.599, 78.120, 79.123, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24.2

The binding sites of Fluorine atom in the The Structure of Mr in Complex with AZD9977. (pdb code 5mwp). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the The Structure of Mr in Complex with AZD9977., PDB code: 5mwp:

Fluorine binding site 1 out of 1 in the The Structure of Mr in Complex with AZD9977.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Structure of Mr in Complex with AZD9977. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:17.2 occ:1.00 F12 A:ECV1101 0.0 17.2 1.0 C11 A:ECV1101 1.3 15.9 1.0 C10 A:ECV1101 2.3 14.6 1.0 C13 A:ECV1101 2.4 13.6 1.0 CA A:CYS849 3.5 12.2 1.0 CB A:MET852 3.5 16.2 1.0 C9 A:ECV1101 3.6 14.2 1.0 O A:LEU848 3.6 12.4 1.0 C14 A:ECV1101 3.6 13.7 1.0 N A:CYS849 3.7 10.8 1.0 C A:LEU848 3.8 13.6 1.0 SG A:CYS849 3.9 16.8 1.0 CG A:MET852 4.0 20.2 1.0 CD2 A:LEU938 4.0 12.2 1.0 C15 A:ECV1101 4.1 11.4 1.0 CB A:CYS849 4.2 13.4 1.0 CD1 A:LEU827 4.4 16.0 1.0 C A:CYS849 4.5 14.3 1.0 CE A:MET845 4.6 18.0 1.0 SD A:MET852 4.6 24.7 1.0 O A:CYS849 4.7 13.5 1.0 CD2 A:LEU814 4.7 8.4 1.0 O8 A:ECV1101 4.7 12.4 1.0 CB A:LEU848 4.7 13.1 1.0 CZ A:PHE829 4.7 10.3 1.0 CA A:LEU848 4.9 12.4 1.0 CA A:MET852 4.9 13.6 1.0

K.Bamberg, U.Johansson, K.Edman, L.William-Olsson, S.Myhre, A.Gunnarsson, S.Geschwindner, A.Aagaard, A.Bjornson Granqvist, F.Jaisser, Y.Huang, K.L.Granberg, R.Jansson-Lofmark, J.Hartleib-Geschwindner. Preclinical Pharmacology of AZD9977: A Novel Mineralocorticoid Receptor Modulator Separating Organ Protection From Effects on Electrolyte Excretion. Plos One V. 13 93380 2018.
ISSN: ESSN 1932-6203
PubMed: 29474466
DOI: 10.1371/JOURNAL.PONE.0193380