Fluorine in PDB 6x21: Crystal Structure of PT1673 Bound to HIF2A-B*:Arnt-B* Complex

The structure of Crystal Structure of PT1673 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6x21 was solved by X.Du, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.97 / 1.54
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.793, 83.504, 41.373, 90, 106.78, 90
R / Rfree (%)	20.5 / 23.3

The structure of Crystal Structure of PT1673 Bound to HIF2A-B*:Arnt-B* Complex also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of PT1673 Bound to HIF2A-B*:Arnt-B* Complex (pdb code 6x21). 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 PT1673 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6x21:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of PT1673 Bound to HIF2A-B*:Arnt-B* Complex


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 PT1673 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:18.0 occ:1.00 F3 A:UKJ401 0.0 18.0 1.0 C13 A:UKJ401 1.4 18.9 1.0 C8 A:UKJ401 2.4 16.7 1.0 C12 A:UKJ401 2.5 19.6 1.0 CE2 A:PHE244 3.2 16.4 1.0 CZ A:PHE244 3.2 17.3 1.0 ND2 A:ASN341 3.3 13.4 1.0 CG A:ASN341 3.3 13.0 1.0 OD1 A:ASN341 3.5 16.6 1.0 C9 A:UKJ401 3.6 17.5 1.0 C11 A:UKJ401 3.8 18.0 1.0 OG A:SER246 3.9 15.9 1.0 CB A:ASN341 4.0 13.0 1.0 CD1 A:LEU319 4.1 27.3 1.0 CZ A:PHE254 4.2 15.1 1.0 CE2 A:PHE254 4.2 13.9 1.0 C10 A:UKJ401 4.2 18.0 1.0 CD2 A:PHE244 4.4 16.0 1.0 CE1 A:PHE244 4.5 15.6 1.0 CB A:SER246 4.5 14.7 1.0 OH A:TYR307 4.6 18.7 1.0 SD A:MET309 4.6 17.6 1.0 CE A:MET309 4.9 17.2 1.0 CD1 A:ILE261 4.9 14.8 1.0 O3 A:UKJ401 5.0 23.2 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of PT1673 Bound to HIF2A-B*:Arnt-B* Complex


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 PT1673 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:31.5 occ:1.00 F1 A:UKJ401 0.0 31.5 1.0 C7 A:UKJ401 1.3 21.0 1.0 F2 A:UKJ401 2.1 27.3 1.0 S1 A:UKJ401 2.6 24.6 1.0 C1 A:UKJ401 3.0 22.3 1.0 O2 A:UKJ401 3.1 25.2 1.0 OG A:SER292 3.2 27.8 1.0 CE A:MET289 3.3 21.2 1.0 O A:HOH525 3.4 27.3 1.0 C6 A:UKJ401 3.4 22.7 1.0 CB A:SER292 3.6 24.7 1.0 C2 A:UKJ401 3.8 22.3 1.0 O1 A:UKJ401 3.8 22.6 1.0 N A:HIS293 3.9 25.5 1.0 O A:MET289 4.0 25.5 1.0 C A:SER292 4.0 24.9 1.0 OH A:TYR281 4.3 22.9 1.0 CA A:HIS293 4.3 27.5 1.0 CA A:SER292 4.4 24.5 1.0 O A:SER292 4.4 25.4 1.0 C5 A:UKJ401 4.4 18.0 1.0 SD A:MET289 4.5 23.6 1.0 C3 A:UKJ401 4.7 22.4 1.0 CB A:HIS293 4.8 30.6 1.0 CB A:SER304 4.8 22.7 1.0 C A:MET289 4.9 24.5 1.0 CA A:MET289 4.9 21.9 1.0 C4 A:UKJ401 4.9 20.7 1.0 CB A:MET289 4.9 22.2 1.0 CG1 A:VAL302 5.0 30.2 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of PT1673 Bound to HIF2A-B*:Arnt-B* Complex


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 PT1673 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:27.3 occ:1.00 F2 A:UKJ401 0.0 27.3 1.0 C7 A:UKJ401 1.3 21.0 1.0 F1 A:UKJ401 2.1 31.5 1.0 S1 A:UKJ401 2.5 24.6 1.0 O1 A:UKJ401 2.9 22.6 1.0 C1 A:UKJ401 3.1 22.3 1.0 C2 A:UKJ401 3.2 22.3 1.0 CA A:HIS293 3.4 27.5 1.0 N A:HIS293 3.6 25.5 1.0 O2 A:UKJ401 3.7 25.2 1.0 CD2 A:LEU296 3.7 28.8 1.0 O A:SER292 3.8 25.4 1.0 C A:SER292 3.8 24.9 1.0 O A:HOH525 3.8 27.3 1.0 CB A:LEU296 3.9 24.8 1.0 CB A:HIS293 4.0 30.6 1.0 OG A:SER292 4.0 27.8 1.0 C6 A:UKJ401 4.1 22.7 1.0 CE A:MET252 4.2 37.1 1.0 CG1 A:VAL302 4.3 30.2 1.0 C3 A:UKJ401 4.4 22.4 1.0 CG A:LEU296 4.4 26.6 1.0 CG A:HIS293 4.6 35.7 1.0 C A:HIS293 4.6 28.9 1.0 CB A:SER292 4.6 24.7 1.0 CD2 A:HIS293 4.6 38.0 1.0 O A:HIS293 4.8 29.1 1.0 CA A:SER292 4.8 24.5 1.0 O A:MET289 4.9 25.5 1.0

X.Du, X.Du. N/A N/A.