Fluorine in PDB 6czw: Crystal Structure of PT1940 Bound to HIF2A-B*:Arnt-B* Complex

The structure of Crystal Structure of PT1940 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6czw was solved by X.Du, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.01 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.928, 83.534, 41.525, 90.00, 106.72, 90.00
R / Rfree (%)	21.1 / 25.1

The structure of Crystal Structure of PT1940 Bound to HIF2A-B*:Arnt-B* Complex also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of PT1940 Bound to HIF2A-B*:Arnt-B* Complex (pdb code 6czw). 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 PT1940 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6czw:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of PT1940 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 PT1940 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:22.0 occ:1.00 F3 A:FO7401 0.0 22.0 1.0 C13 A:FO7401 1.4 18.8 1.0 C8 A:FO7401 2.4 17.8 1.0 C12 A:FO7401 2.4 17.6 1.0 ND2 A:ASN341 3.2 14.2 1.0 CE1 A:PHE244 3.3 16.3 1.0 CG A:ASN341 3.3 14.7 1.0 CZ A:PHE244 3.4 16.8 1.0 OD1 A:ASN341 3.5 15.7 1.0 C9 A:FO7401 3.6 16.8 1.0 C11 A:FO7401 3.7 16.9 1.0 OG A:SER246 3.8 15.5 1.0 CB A:ASN341 4.0 14.9 1.0 C10 A:FO7401 4.2 17.4 1.0 CE1 A:PHE254 4.2 14.0 1.0 CZ A:PHE254 4.2 14.6 1.0 CD1 A:LEU319 4.2 27.8 1.0 CD1 A:PHE244 4.4 17.9 1.0 CB A:SER246 4.4 13.2 1.0 CE2 A:PHE244 4.6 16.3 1.0 OH A:TYR307 4.7 20.4 1.0 SD A:MET309 4.8 18.1 1.0 O3 A:FO7401 4.8 19.2 1.0 CD1 A:ILE261 4.9 14.4 1.0 CE A:MET309 4.9 17.5 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of PT1940 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 PT1940 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:40.2 occ:1.00 F1 A:FO7401 0.0 40.2 1.0 C7 A:FO7401 1.4 31.6 1.0 F2 A:FO7401 2.2 43.4 1.0 S1 A:FO7401 2.4 32.7 1.0 O2 A:FO7401 2.4 28.7 1.0 CE A:MET289 3.0 22.6 1.0 OG A:SER292 3.1 30.9 0.2 OG A:SER292 3.1 30.9 0.2 C1 A:FO7401 3.2 28.0 1.0 CB A:SER304 3.2 23.3 1.0 C6 A:FO7401 3.4 25.7 1.0 CB A:SER292 3.5 29.6 0.5 CB A:SER292 3.5 30.9 0.2 CB A:SER292 3.5 30.9 0.2 O1 A:FO7401 3.6 26.1 1.0 CA A:SER304 3.7 24.6 1.0 SD A:MET289 4.0 26.9 1.0 OG A:SER292 4.2 29.4 0.5 C2 A:FO7401 4.3 26.1 1.0 O4 A:FO7401 4.5 28.5 1.0 OG A:SER304 4.5 19.8 1.0 N A:SER304 4.5 25.7 1.0 O A:HOH520 4.5 27.0 1.0 CG1 A:VAL302 4.6 33.4 1.0 C5 A:FO7401 4.6 21.1 1.0 C A:SER292 4.7 33.5 1.0 CA A:SER292 4.7 33.4 0.5 O A:MET289 4.8 29.9 1.0 CA A:SER292 4.8 33.1 0.2 CA A:SER292 4.8 33.1 0.2 C14 A:FO7401 4.9 29.7 1.0 C A:SER304 4.9 28.1 1.0 N A:HIS293 4.9 33.1 1.0 O A:SER304 5.0 34.1 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of PT1940 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 PT1940 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:43.4 occ:1.00 F2 A:FO7401 0.0 43.4 1.0 C7 A:FO7401 1.3 31.6 1.0 F1 A:FO7401 2.2 40.2 1.0 O4 A:FO7401 2.5 28.5 1.0 S1 A:FO7401 2.5 32.7 1.0 O A:HOH520 3.0 27.0 1.0 C1 A:FO7401 3.0 28.0 1.0 O1 A:FO7401 3.3 26.1 1.0 C2 A:FO7401 3.3 26.1 1.0 C14 A:FO7401 3.3 29.7 1.0 N A:HIS293 3.6 33.1 1.0 O2 A:FO7401 3.6 28.7 1.0 CA A:HIS293 3.8 32.6 1.0 OG A:SER292 3.8 30.9 0.2 OG A:SER292 3.8 30.9 0.2 O A:MET289 3.8 29.9 1.0 C6 A:FO7401 3.9 25.7 1.0 C A:SER292 3.9 33.5 1.0 CB A:SER292 3.9 29.6 0.5 CB A:SER292 3.9 30.9 0.2 CB A:SER292 3.9 30.9 0.2 CB A:HIS293 4.0 34.9 1.0 CE A:MET289 4.2 22.6 1.0 O A:SER292 4.2 32.8 1.0 C3 A:FO7401 4.4 25.3 1.0 CA A:SER292 4.5 33.4 0.5 CA A:SER292 4.5 33.1 0.2 CA A:SER292 4.5 33.1 0.2 OH A:TYR281 4.6 23.1 1.0 ND1 A:HIS293 4.6 41.1 1.0 CG1 A:VAL302 4.8 33.4 1.0 C A:MET289 4.8 28.0 1.0 CG A:HIS293 4.8 35.5 1.0 C5 A:FO7401 4.8 21.1 1.0 CD2 A:LEU296 4.9 27.9 1.0

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