Fluorine in PDB 6x3d: Crystal Structure of PT3388 Bound to HIF2A-B*:Arnt-B* Complex

The structure of Crystal Structure of PT3388 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6x3d was solved by X.Du, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.85 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.253, 84.006, 41.344, 90, 106.21, 90
R / Rfree (%)	21.1 / 27.7

The binding sites of Fluorine atom in the Crystal Structure of PT3388 Bound to HIF2A-B*:Arnt-B* Complex (pdb code 6x3d). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of PT3388 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6x3d:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Crystal Structure of PT3388 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 PT3388 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:49.6 occ:1.00 F1 A:ULM401 0.0 49.6 1.0 C5 A:ULM401 1.4 41.8 1.0 C6 A:ULM401 2.4 39.9 1.0 C9 A:ULM401 2.4 39.9 1.0 O2 A:ULM401 2.6 46.0 1.0 CA A:MET252 3.4 37.3 1.0 CD1 A:ILE337 3.5 28.9 1.0 CG A:MET252 3.5 44.4 1.0 C8 A:ULM401 3.5 36.8 1.0 C7 A:ULM401 3.5 39.8 1.0 CB A:MET252 3.6 42.7 1.0 CE1 A:HIS293 3.7 44.9 1.0 ND1 A:HIS293 3.7 47.2 1.0 CB A:HIS248 3.8 28.6 1.0 CG A:HIS248 4.0 31.9 1.0 N A:MET252 4.0 42.0 1.0 ND1 A:HIS248 4.3 25.2 1.0 O A:SER249 4.4 38.5 1.0 CG2 A:ILE337 4.4 24.0 1.0 C A:MET252 4.4 32.6 1.0 CG1 A:ILE337 4.5 27.4 1.0 CB A:ILE337 4.5 28.4 1.0 CE A:MET252 4.5 58.2 1.0 CD2 A:HIS248 4.6 30.9 1.0 O A:MET252 4.7 33.8 1.0 SD A:MET252 4.8 57.7 1.0 C2 A:ULM401 4.8 35.2 1.0 C1 A:ULM401 4.9 37.8 1.0 NE2 A:HIS293 4.9 45.9 1.0 CG A:HIS293 5.0 46.2 1.0 CE1 A:HIS248 5.0 25.3 1.0

Fluorine binding site 2 out of 6 in the Crystal Structure of PT3388 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 PT3388 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:41.4 occ:1.00 F12 A:ULM401 0.0 41.4 1.0 C11 A:ULM401 1.3 39.0 1.0 F14 A:ULM401 2.1 40.9 1.0 F13 A:ULM401 2.1 43.7 1.0 C1 A:ULM401 2.3 37.8 1.0 N4 A:ULM401 2.6 37.6 1.0 CB A:SER304 3.5 33.0 1.0 CG1 A:VAL302 3.6 40.3 1.0 C7 A:ULM401 3.6 39.8 1.0 CE A:MET289 3.9 36.2 1.0 CA A:SER304 4.0 42.3 1.0 C3 A:ULM401 4.0 35.6 1.0 CB A:SER292 4.1 46.4 1.0 CG2 A:THR321 4.1 26.3 1.0 N A:SER304 4.2 40.2 1.0 C6 A:ULM401 4.4 39.9 1.0 OG A:SER292 4.5 53.9 1.0 O A:THR321 4.5 35.9 1.0 CB A:THR321 4.5 28.8 1.0 OG A:SER304 4.7 32.0 1.0 O A:HOH502 4.7 70.3 1.0 C8 A:ULM401 4.7 36.8 1.0 O2 A:ULM401 4.8 46.0 1.0 C2 A:ULM401 4.9 35.2 1.0 C A:SER292 4.9 52.5 1.0

Fluorine binding site 3 out of 6 in the Crystal Structure of PT3388 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 PT3388 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:43.7 occ:1.00 F13 A:ULM401 0.0 43.7 1.0 C11 A:ULM401 1.3 39.0 1.0 F14 A:ULM401 2.1 40.9 1.0 F12 A:ULM401 2.1 41.4 1.0 C1 A:ULM401 2.4 37.8 1.0 C7 A:ULM401 3.0 39.8 1.0 O2 A:ULM401 3.0 46.0 1.0 C6 A:ULM401 3.1 39.9 1.0 N4 A:ULM401 3.4 37.6 1.0 O A:HOH502 3.7 70.3 1.0 N A:HIS293 3.7 50.9 1.0 CD2 A:LEU296 3.7 51.3 1.0 CA A:HIS293 3.8 50.1 1.0 C A:SER292 3.9 52.5 1.0 CG1 A:VAL302 3.9 40.3 1.0 O A:SER292 4.0 49.5 1.0 CB A:SER292 4.1 46.4 1.0 CB A:HIS293 4.2 44.9 1.0 C8 A:ULM401 4.3 36.8 1.0 ND1 A:HIS293 4.5 47.2 1.0 CB A:LEU296 4.6 52.0 1.0 C5 A:ULM401 4.6 41.8 1.0 C3 A:ULM401 4.6 35.6 1.0 O A:MET289 4.6 49.7 1.0 CE A:MET289 4.6 36.2 1.0 CA A:SER292 4.6 50.4 1.0 CG A:LEU296 4.8 52.5 1.0 CG A:HIS293 4.9 46.2 1.0 C2 A:ULM401 4.9 35.2 1.0

Fluorine binding site 4 out of 6 in the Crystal Structure of PT3388 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 PT3388 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:40.9 occ:1.00 F14 A:ULM401 0.0 40.9 1.0 C11 A:ULM401 1.3 39.0 1.0 F12 A:ULM401 2.1 41.4 1.0 F13 A:ULM401 2.1 43.7 1.0 C1 A:ULM401 2.2 37.8 1.0 C7 A:ULM401 3.0 39.8 1.0 N4 A:ULM401 3.2 37.6 1.0 C6 A:ULM401 3.3 39.9 1.0 CG1 A:VAL302 3.4 40.3 1.0 CD2 A:LEU296 3.4 51.3 1.0 CA A:GLY323 3.7 29.4 1.0 CG2 A:THR321 4.0 26.3 1.0 N A:GLY323 4.1 25.4 1.0 O2 A:ULM401 4.1 46.0 1.0 C8 A:ULM401 4.2 36.8 1.0 C3 A:ULM401 4.3 35.6 1.0 SG A:CYS339 4.4 37.6 1.0 CG A:LEU296 4.5 52.5 1.0 C5 A:ULM401 4.6 41.8 1.0 CD1 A:LEU296 4.7 49.5 1.0 C2 A:ULM401 4.8 35.2 1.0 C A:GLY323 4.8 32.6 1.0 CB A:LEU296 4.8 52.0 1.0 CB A:VAL302 4.9 41.3 1.0 C A:GLN322 5.0 31.5 1.0

Fluorine binding site 5 out of 6 in the Crystal Structure of PT3388 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 PT3388 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:45.6 occ:1.00 F15 A:ULM401 0.0 45.6 1.0 C14 A:ULM401 1.3 39.2 1.0 F16 A:ULM401 2.1 43.8 1.0 C12 A:ULM401 2.3 36.4 1.0 C13 A:ULM401 2.4 34.6 1.0 C10 A:ULM401 2.9 35.8 1.0 CZ A:PHE244 3.4 34.9 1.0 CD1 A:LEU319 3.5 39.2 1.0 SD A:MET309 3.5 65.2 1.0 OH A:TYR307 3.8 38.3 1.0 CE A:MET309 3.8 63.6 1.0 CE2 A:PHE244 3.9 30.1 1.0 CG A:ASN341 4.1 32.4 1.0 ND2 A:ASN341 4.1 33.0 1.0 O1 A:ULM401 4.2 33.5 1.0 OD1 A:ASN341 4.3 37.0 1.0 CB A:ASN341 4.6 31.2 1.0 CE1 A:PHE244 4.6 33.9 1.0 CG A:MET309 4.7 54.5 1.0 CZ A:PHE254 4.8 26.5 1.0 CZ A:TYR307 4.8 38.5 1.0 CG A:LEU319 4.9 40.4 1.0 CE2 A:TYR307 5.0 39.3 1.0 CD1 A:ILE265 5.0 57.4 1.0

Fluorine binding site 6 out of 6 in the Crystal Structure of PT3388 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 6 of Crystal Structure of PT3388 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:43.8 occ:1.00 F16 A:ULM401 0.0 43.8 1.0 C14 A:ULM401 1.3 39.2 1.0 F15 A:ULM401 2.1 45.6 1.0 C12 A:ULM401 2.4 36.4 1.0 C13 A:ULM401 2.4 34.6 1.0 C10 A:ULM401 3.2 35.8 1.0 OG A:SER246 3.3 30.4 1.0 CE2 A:PHE254 3.3 29.5 1.0 CZ A:PHE254 3.3 26.5 1.0 CE2 A:PHE244 3.5 30.1 1.0 ND2 A:ASN341 3.6 33.0 1.0 CB A:SER246 3.7 25.4 1.0 CZ A:PHE244 3.9 34.9 1.0 O1 A:ULM401 4.0 33.5 1.0 NE2 A:HIS248 4.1 32.3 1.0 CG A:ASN341 4.2 32.4 1.0 CE1 A:HIS248 4.4 25.3 1.0 OD1 A:ASN341 4.5 37.0 1.0 CD2 A:PHE254 4.6 24.6 1.0 CE1 A:PHE254 4.6 25.2 1.0 CE A:MET309 4.7 63.6 1.0 CD2 A:PHE244 4.7 29.0 1.0

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