Fluorine in PDB 4ghi: Crystal Structure of the High Affinity Heterodimer of HIF2 Alpha and Arnt C-Terminal Pas Domains in Complex with A Benzoxadiazole Antagonist

The structure of Crystal Structure of the High Affinity Heterodimer of HIF2 Alpha and Arnt C-Terminal Pas Domains in Complex with A Benzoxadiazole Antagonist, PDB code: 4ghi was solved by T.H.Scheuermann, J.Key, U.K.Tambar, R.K.Bruick, K.H.Gardner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.02 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.353, 83.000, 41.020, 90.00, 105.98, 90.00
R / Rfree (%)	16.9 / 19.6

The structure of Crystal Structure of the High Affinity Heterodimer of HIF2 Alpha and Arnt C-Terminal Pas Domains in Complex with A Benzoxadiazole Antagonist also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of the High Affinity Heterodimer of HIF2 Alpha and Arnt C-Terminal Pas Domains in Complex with A Benzoxadiazole Antagonist (pdb code 4ghi). 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 Crystal Structure of the High Affinity Heterodimer of HIF2 Alpha and Arnt C-Terminal Pas Domains in Complex with A Benzoxadiazole Antagonist, PDB code: 4ghi:

Fluorine binding site 1 out of 1 in the Crystal Structure of the High Affinity Heterodimer of HIF2 Alpha and Arnt C-Terminal Pas Domains in Complex with A Benzoxadiazole Antagonist


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the High Affinity Heterodimer of HIF2 Alpha and Arnt C-Terminal Pas Domains in Complex with A Benzoxadiazole Antagonist within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:19.1 occ:0.70 FAR A:0X3401 0.0 19.1 0.7 CAQ A:0X3401 1.3 14.9 0.7 CAI A:0X3401 2.3 12.4 0.7 CAP A:0X3401 2.3 11.6 0.7 HE1 A:PHE244 2.4 17.6 1.0 HAP A:0X3401 2.6 13.8 0.7 HAI A:0X3401 2.6 14.8 0.7 HG A:SER246 2.9 17.2 1.0 HZ A:PHE244 3.0 19.1 1.0 CE1 A:PHE244 3.0 14.7 1.0 HD22 A:ASN341 3.1 14.8 1.0 ND2 A:ASN341 3.2 12.4 1.0 CG A:ASN341 3.3 12.5 1.0 CZ A:PHE244 3.3 16.0 1.0 HE1 A:PHE254 3.4 18.1 1.0 HZ A:PHE254 3.4 18.2 1.0 OD1 A:ASN341 3.5 15.6 1.0 HD21 A:ASN341 3.5 14.8 1.0 CAH A:0X3401 3.6 8.7 0.7 OG A:SER246 3.6 14.4 1.0 CAO A:0X3401 3.6 9.3 0.7 HB3 A:SER246 3.7 16.6 1.0 HB3 A:ASN341 4.0 15.1 1.0 CE1 A:PHE254 4.0 15.1 1.0 HE2 A:HIS248 4.0 14.8 1.0 CZ A:PHE254 4.1 15.2 1.0 CAG A:0X3401 4.1 8.5 0.7 CB A:ASN341 4.1 12.6 1.0 CB A:SER246 4.1 13.9 1.0 CD1 A:PHE244 4.2 14.7 1.0 HB2 A:ASN341 4.2 15.1 1.0 HD13 A:LEU319 4.2 27.7 1.0 HD12 A:ILE261 4.3 20.1 1.0 HD1 A:PHE244 4.4 17.6 1.0 HB2 A:SER246 4.5 16.6 1.0 HD11 A:LEU319 4.5 27.7 1.0 HE1 A:HIS248 4.6 16.9 1.0 HH A:TYR307 4.6 19.2 1.0 HE1 A:MET309 4.6 21.7 1.0 CE2 A:PHE244 4.6 15.7 1.0 OH A:TYR307 4.7 16.0 1.0 HG1 A:THR321 4.7 18.4 1.0 CD1 A:LEU319 4.7 23.1 1.0 HD12 A:LEU319 4.7 27.7 1.0 NE2 A:HIS248 4.8 12.4 1.0 NAN A:0X3401 4.8 14.2 0.7 SD A:MET309 4.9 18.7 1.0 HNAN A:0X3401 4.9 17.0 0.7 HD11 A:ILE261 4.9 20.1 1.0

T.H.Scheuermann, Q.Li, H.W.Ma, J.Key, L.Zhang, R.Chen, J.A.Garcia, J.Naidoo, J.Longgood, D.E.Frantz, U.K.Tambar, K.H.Gardner, R.K.Bruick. Allosteric Inhibition of Hypoxia Inducible Factor-2 with Small Molecules. Nat.Chem.Biol. V. 9 271 2013.
ISSN: ISSN 1552-4450
PubMed: 23434853
DOI: 10.1038/NCHEMBIO.1185