Fluorine in PDB 7w80: Crystal Structure of the Heterodimeric Hif-2 in Complex with Antagonist Belzutifan

The structure of Crystal Structure of the Heterodimeric Hif-2 in Complex with Antagonist Belzutifan, PDB code: 7w80 was solved by X.Ren, X.Diao, J.Zhuang, D.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.38 / 2.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.192, 98.187, 77.739, 90, 107.16, 90
R / Rfree (%)	21.6 / 27.4

The binding sites of Fluorine atom in the Crystal Structure of the Heterodimeric Hif-2 in Complex with Antagonist Belzutifan (pdb code 7w80). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Heterodimeric Hif-2 in Complex with Antagonist Belzutifan, PDB code: 7w80:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the Heterodimeric Hif-2 in Complex with Antagonist Belzutifan


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 Heterodimeric Hif-2 in Complex with Antagonist Belzutifan within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:58.9 occ:1.00 F3 B:72Q401 0.0 58.9 1.0 C15 B:72Q401 1.4 59.3 1.0 C10 B:72Q401 2.4 58.7 1.0 C14 B:72Q401 2.4 56.5 1.0 ND2 B:ASN341 3.2 58.0 1.0 CG B:ASN341 3.3 66.8 1.0 CZ B:PHE244 3.3 56.7 1.0 CE2 B:PHE244 3.4 54.2 1.0 OD1 B:ASN341 3.6 77.8 1.0 C11 B:72Q401 3.6 58.6 1.0 C13 B:72Q401 3.6 55.6 1.0 CB B:ASN341 3.9 65.6 1.0 OG B:SER246 4.1 58.1 1.0 C12 B:72Q401 4.1 57.2 1.0 CE2 B:PHE254 4.1 60.6 1.0 CZ B:PHE254 4.3 53.0 1.0 OH B:TYR307 4.4 37.8 1.0 CD1 B:LEU319 4.4 49.2 1.0 CE1 B:PHE244 4.5 59.0 1.0 CB B:SER246 4.5 59.8 1.0 SD B:MET309 4.6 61.8 1.0 CD2 B:PHE244 4.7 50.3 1.0 O4 B:72Q401 4.8 62.0 1.0 C16 B:72Q401 4.9 52.2 1.0 CD1 B:ILE261 4.9 45.4 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the Heterodimeric Hif-2 in Complex with Antagonist Belzutifan


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Heterodimeric Hif-2 in Complex with Antagonist Belzutifan within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:59.8 occ:1.00 F2 B:72Q401 0.0 59.8 1.0 C9 B:72Q401 1.4 62.9 1.0 C5 B:72Q401 2.3 61.8 1.0 C8 B:72Q401 2.4 60.3 1.0 F1 B:72Q401 2.4 63.7 1.0 O1 B:72Q401 2.5 62.3 1.0 C6 B:72Q401 2.8 59.1 1.0 C7 B:72Q401 3.0 58.0 1.0 CG B:MET252 3.1 94.0 1.0 C2 B:72Q401 3.3 65.9 1.0 CB B:MET252 3.4 90.0 1.0 O4 B:72Q401 3.6 62.0 1.0 CB B:ALA277 3.6 59.4 1.0 CA B:MET252 3.8 87.9 1.0 OH B:TYR281 3.9 63.3 1.0 O B:MET252 4.0 66.7 1.0 ND1 B:HIS248 4.1 63.9 1.0 C1 B:72Q401 4.3 63.5 1.0 C B:MET252 4.4 80.6 1.0 CG B:HIS248 4.5 65.5 1.0 CE1 B:HIS248 4.5 61.8 1.0 C3 B:72Q401 4.5 65.6 1.0 SD B:MET252 4.5 95.7 1.0 ND1 B:HIS293 4.7 62.4 1.0 CB B:HIS248 4.9 65.2 1.0 C13 B:72Q401 4.9 55.6 1.0 C4 B:72Q401 4.9 57.7 1.0 CA B:ALA277 4.9 55.1 1.0 CZ B:TYR281 4.9 63.3 1.0 NE2 B:HIS248 5.0 64.5 1.0 CD2 B:HIS248 5.0 65.5 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the Heterodimeric Hif-2 in Complex with Antagonist Belzutifan


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Heterodimeric Hif-2 in Complex with Antagonist Belzutifan within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:63.7 occ:1.00 F1 B:72Q401 0.0 63.7 1.0 C5 B:72Q401 1.4 61.8 1.0 C6 B:72Q401 2.3 59.1 1.0 C9 B:72Q401 2.3 62.9 1.0 F2 B:72Q401 2.4 59.8 1.0 O1 B:72Q401 2.4 62.3 1.0 CG B:MET252 3.2 94.0 1.0 ND1 B:HIS293 3.3 62.4 1.0 CE1 B:HIS293 3.4 68.1 1.0 CD1 B:ILE337 3.5 63.4 1.0 C8 B:72Q401 3.5 60.3 1.0 C7 B:72Q401 3.5 58.0 1.0 CA B:MET252 3.9 87.9 1.0 CB B:MET252 4.0 90.0 1.0 CG2 B:ILE337 4.0 48.1 1.0 CB B:HIS248 4.2 65.2 1.0 CB B:ILE337 4.2 53.4 1.0 O B:SER249 4.3 65.2 1.0 CG1 B:ILE337 4.4 53.3 1.0 CG B:HIS248 4.5 65.5 1.0 CG B:HIS293 4.5 60.4 1.0 NE2 B:HIS293 4.6 66.0 1.0 N B:MET252 4.7 83.5 1.0 SD B:MET252 4.7 95.7 1.0 ND1 B:HIS248 4.8 63.9 1.0 C2 B:72Q401 4.8 65.9 1.0 C1 B:72Q401 4.8 63.5 1.0 C B:MET252 4.9 80.6 1.0 SG B:CYS339 4.9 65.9 1.0 CD2 B:LEU296 5.0 52.9 1.0

X.Ren, X.Diao, J.Zhuang, D.Wu. Structural Basis For the Allosteric Inhibition of Hypoxia-Inducible Factor (Hif)-2 By Belzutifan. Mol.Pharmacol. 2022.
ISSN: ESSN 1521-0111
PubMed: 36167425
DOI: 10.1124/MOLPHARM.122.000525