Fluorine in PDB 6x28: Crystal Structure of PT2243 Bound to HIF2A-B*:Arnt-B* Complex

The structure of Crystal Structure of PT2243 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6x28 was solved by X.Du, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.82 / 1.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.189, 83.787, 41.408, 90, 106.42, 90
R / Rfree (%)	22.4 / 28.7

The binding sites of Fluorine atom in the Crystal Structure of PT2243 Bound to HIF2A-B*:Arnt-B* Complex (pdb code 6x28). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Crystal Structure of PT2243 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6x28:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in the Crystal Structure of PT2243 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 PT2243 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:32.8 occ:1.00 F4 A:ULG401 0.0 32.8 1.0 C15 A:ULG401 1.3 31.4 1.0 F3 A:ULG401 1.9 28.2 1.0 F2 A:ULG401 2.0 33.0 1.0 C3 A:ULG401 2.2 26.9 1.0 C12 A:ULG401 2.9 26.3 1.0 O1 A:ULG401 3.0 31.9 1.0 C11 A:ULG401 3.2 27.7 1.0 C2 A:ULG401 3.3 25.7 1.0 O A:HOH502 3.5 46.6 1.0 CB A:SER292 3.8 38.0 1.0 N A:HIS293 3.9 37.1 1.0 C A:SER292 3.9 39.2 1.0 CA A:HIS293 4.0 35.1 1.0 CG1 A:VAL302 4.0 37.3 1.0 O A:SER292 4.1 48.8 1.0 CD2 A:LEU296 4.1 36.1 1.0 C13 A:ULG401 4.2 22.4 1.0 CB A:HIS293 4.4 31.7 1.0 CE A:MET289 4.4 24.9 1.0 C1 A:ULG401 4.5 25.0 1.0 CA A:SER292 4.6 37.9 1.0 O A:MET289 4.6 40.5 1.0 ND1 A:HIS293 4.7 29.7 1.0 C10 A:ULG401 4.7 26.8 1.0 C A:ULG401 4.8 22.6 1.0 CB A:LEU296 4.8 39.6 1.0 OG A:SER292 4.9 41.6 1.0

Fluorine binding site 2 out of 5 in the Crystal Structure of PT2243 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 PT2243 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:33.0 occ:1.00 F2 A:ULG401 0.0 33.0 1.0 C15 A:ULG401 1.3 31.4 1.0 F4 A:ULG401 2.0 32.8 1.0 F3 A:ULG401 2.2 28.2 1.0 C3 A:ULG401 2.3 26.9 1.0 C12 A:ULG401 3.0 26.3 1.0 CD2 A:LEU296 3.3 36.1 1.0 CG1 A:VAL302 3.3 37.3 1.0 C11 A:ULG401 3.4 27.7 1.0 C2 A:ULG401 3.4 25.7 1.0 CA A:GLY323 3.9 22.7 1.0 O1 A:ULG401 4.0 31.9 1.0 N A:GLY323 4.2 21.6 1.0 C13 A:ULG401 4.3 22.4 1.0 CG A:LEU296 4.4 36.5 1.0 CG2 A:THR321 4.5 21.9 1.0 C1 A:ULG401 4.5 25.0 1.0 CB A:LEU296 4.6 39.6 1.0 SG A:CYS339 4.7 24.4 1.0 C10 A:ULG401 4.8 26.8 1.0 CD1 A:LEU296 4.8 35.3 1.0 CB A:VAL302 4.9 36.0 1.0 O A:SER292 4.9 48.8 1.0 C A:ULG401 4.9 22.6 1.0

Fluorine binding site 3 out of 5 in the Crystal Structure of PT2243 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 PT2243 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:28.2 occ:1.00 F3 A:ULG401 0.0 28.2 1.0 C15 A:ULG401 1.3 31.4 1.0 F4 A:ULG401 1.9 32.8 1.0 F2 A:ULG401 2.2 33.0 1.0 C3 A:ULG401 2.3 26.9 1.0 C2 A:ULG401 2.7 25.7 1.0 CB A:SER304 3.2 27.6 1.0 CE A:MET289 3.6 24.9 1.0 C12 A:ULG401 3.7 26.3 1.0 CB A:SER292 3.8 38.0 1.0 CA A:SER304 3.8 32.8 1.0 CG1 A:VAL302 3.9 37.3 1.0 C1 A:ULG401 4.0 25.0 1.0 N A:SER304 4.2 34.5 1.0 OG A:SER292 4.4 41.6 1.0 OG A:SER304 4.4 22.2 1.0 CG2 A:THR321 4.5 21.9 1.0 O A:HOH502 4.5 46.6 1.0 C11 A:ULG401 4.5 27.7 1.0 O A:THR321 4.6 25.1 1.0 CB A:THR321 4.6 22.7 1.0 O1 A:ULG401 4.7 31.9 1.0 C13 A:ULG401 4.8 22.4 1.0 C A:SER292 4.8 39.2 1.0 C A:ULG401 4.9 22.6 1.0 SD A:MET289 4.9 33.1 1.0 CA A:SER292 4.9 37.9 1.0 O A:SER292 5.0 48.8 1.0

Fluorine binding site 4 out of 5 in the Crystal Structure of PT2243 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 4 of Crystal Structure of PT2243 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:32.0 occ:1.00 F A:ULG401 0.0 32.0 1.0 C5 A:ULG401 1.4 27.2 1.0 C6 A:ULG401 2.4 27.1 1.0 C4 A:ULG401 2.4 27.7 1.0 CG A:MET309 3.4 24.8 1.0 CE2 A:TYR307 3.6 24.5 1.0 CB A:MET309 3.6 23.6 1.0 CE1 A:TYR281 3.6 24.1 1.0 C7 A:ULG401 3.6 25.3 1.0 C9 A:ULG401 3.6 29.1 1.0 SD A:MET309 3.7 26.3 1.0 CE A:MET309 3.9 20.4 1.0 CB A:PHE280 3.9 26.4 1.0 CD1 A:TYR281 3.9 29.2 1.0 C8 A:ULG401 4.2 22.4 1.0 OH A:TYR307 4.2 22.9 1.0 O A:ALA277 4.3 35.2 1.0 CZ A:TYR307 4.4 26.1 1.0 CA A:MET309 4.4 27.9 1.0 CD2 A:TYR307 4.5 24.0 1.0 CZ A:TYR281 4.7 28.4 1.0 O A:ULG401 4.7 20.5 1.0 F1 A:ULG401 4.7 28.2 1.0 C A:PHE280 4.7 23.6 1.0 CG A:PHE280 4.8 25.9 1.0 O A:PHE280 4.8 26.9 1.0 CA A:PHE280 4.9 24.4 1.0 CB A:ALA277 5.0 31.2 1.0 CD1 A:LEU319 5.0 24.8 1.0

Fluorine binding site 5 out of 5 in the Crystal Structure of PT2243 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 5 of Crystal Structure of PT2243 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:28.2 occ:1.00 F1 A:ULG401 0.0 28.2 1.0 C9 A:ULG401 1.3 29.1 1.0 C4 A:ULG401 2.3 27.7 1.0 C8 A:ULG401 2.3 22.4 1.0 CG A:ASN341 3.1 19.7 1.0 ND2 A:ASN341 3.2 18.1 1.0 CE2 A:PHE244 3.2 17.4 1.0 CZ A:PHE244 3.3 21.7 1.0 OD1 A:ASN341 3.4 22.3 1.0 C7 A:ULG401 3.6 25.3 1.0 C5 A:ULG401 3.6 27.2 1.0 CB A:ASN341 3.8 22.1 1.0 OG A:SER246 3.8 17.5 1.0 C6 A:ULG401 4.1 27.1 1.0 CD1 A:LEU319 4.2 24.8 1.0 CE2 A:PHE254 4.3 20.5 1.0 CZ A:PHE254 4.3 21.1 1.0 CD2 A:PHE244 4.4 20.5 1.0 OH A:TYR307 4.4 22.9 1.0 CB A:SER246 4.5 16.9 1.0 CE1 A:PHE244 4.6 20.0 1.0 O A:ULG401 4.7 20.5 1.0 F A:ULG401 4.7 32.0 1.0 CD1 A:ILE261 4.8 20.5 1.0 SD A:MET309 4.9 26.3 1.0

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