Fluorine in PDB 6d09: Crystal Structure of PT2440 Bound to HIF2A-B*:Arnt-B* Complex

The structure of Crystal Structure of PT2440 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6d09 was solved by X.Du, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.84 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.216, 83.832, 41.410, 90.00, 106.25, 90.00
R / Rfree (%)	22.7 / 28.2

The binding sites of Fluorine atom in the Crystal Structure of PT2440 Bound to HIF2A-B*:Arnt-B* Complex (pdb code 6d09). 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 PT2440 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6d09:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in the Crystal Structure of PT2440 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 PT2440 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:31.6 occ:1.00 F5 A:FOJ401 0.0 31.6 1.0 C15 A:FOJ401 1.3 27.8 1.0 C14 A:FOJ401 2.3 23.8 1.0 C10 A:FOJ401 2.4 27.5 1.0 ND2 A:ASN341 3.2 25.2 1.0 CE2 A:PHE244 3.2 23.2 1.0 CG A:ASN341 3.4 28.1 1.0 CZ A:PHE244 3.4 24.8 1.0 OD1 A:ASN341 3.5 25.0 1.0 C13 A:FOJ401 3.6 28.0 1.0 C11 A:FOJ401 3.6 27.1 1.0 OG A:SER246 3.7 22.4 1.0 CZ A:PHE254 4.1 22.6 1.0 CB A:ASN341 4.1 26.1 1.0 CE1 A:PHE254 4.1 24.5 1.0 C12 A:FOJ401 4.1 24.9 1.0 CB A:SER246 4.3 21.6 1.0 CD2 A:PHE244 4.5 26.2 1.0 CD1 A:LEU319 4.5 33.3 1.0 CD1 A:ILE261 4.7 22.9 1.0 C16 A:FOJ401 4.7 29.5 1.0 O4 A:FOJ401 4.7 26.4 1.0 CE1 A:PHE244 4.7 26.2 1.0 OH A:TYR307 4.8 29.4 1.0 SD A:MET309 4.9 27.4 1.0 NE2 A:HIS248 4.9 29.7 1.0

Fluorine binding site 2 out of 5 in the Crystal Structure of PT2440 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 PT2440 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:39.5 occ:1.00 F2 A:FOJ401 0.0 39.5 1.0 C5 A:FOJ401 1.3 35.3 1.0 F1 A:FOJ401 2.2 38.1 1.0 C6 A:FOJ401 2.4 32.8 1.0 S1 A:FOJ401 2.6 33.4 1.0 O3 A:FOJ401 2.7 30.7 1.0 O2 A:FOJ401 2.8 34.1 1.0 CD2 A:LEU296 3.3 32.6 1.0 CB A:LEU296 3.3 36.0 1.0 CG1 A:VAL302 3.4 39.8 1.0 O1 A:FOJ401 3.5 30.7 1.0 CA A:HIS293 3.5 39.6 1.0 O A:SER292 3.6 42.4 1.0 C7 A:FOJ401 3.6 30.3 1.0 C8 A:FOJ401 3.7 30.4 1.0 N A:HIS293 3.8 36.8 1.0 C A:SER292 3.8 42.2 1.0 CG A:LEU296 3.8 33.8 1.0 ND1 A:HIS293 3.9 34.8 1.0 CB A:HIS293 4.1 39.4 1.0 CG A:HIS293 4.4 39.5 1.0 CB A:SER292 4.5 37.0 1.0 C A:HIS293 4.5 45.6 1.0 CD1 A:LEU296 4.5 36.3 1.0 O A:HIS293 4.5 39.7 1.0 CB A:VAL302 4.7 42.9 1.0 CA A:LEU296 4.7 42.1 1.0 CA A:SER292 4.8 40.4 1.0 C1 A:FOJ401 4.8 31.7 1.0 O A:HOH505 4.9 38.2 1.0 CE1 A:HIS293 4.9 42.0 1.0 N A:LEU296 5.0 47.9 1.0

Fluorine binding site 3 out of 5 in the Crystal Structure of PT2440 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 PT2440 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:38.1 occ:1.00 F1 A:FOJ401 0.0 38.1 1.0 C5 A:FOJ401 1.3 35.3 1.0 F2 A:FOJ401 2.2 39.5 1.0 C6 A:FOJ401 2.3 32.8 1.0 S1 A:FOJ401 2.4 33.4 1.0 O1 A:FOJ401 2.8 30.7 1.0 C7 A:FOJ401 3.0 30.3 1.0 C8 A:FOJ401 3.0 30.4 1.0 CG1 A:VAL302 3.4 39.8 1.0 O3 A:FOJ401 3.5 30.7 1.0 O2 A:FOJ401 3.5 34.1 1.0 CA A:GLY323 3.5 24.6 1.0 CD2 A:LEU296 3.7 32.6 1.0 N A:GLY323 4.1 25.0 1.0 C1 A:FOJ401 4.1 31.7 1.0 C4 A:FOJ401 4.2 28.3 1.0 CG A:LEU296 4.3 33.8 1.0 CB A:LEU296 4.4 36.0 1.0 CD1 A:LEU296 4.4 36.3 1.0 F3 A:FOJ401 4.4 41.4 1.0 C A:GLY323 4.5 28.2 1.0 SG A:CYS339 4.6 30.3 1.0 C9 A:FOJ401 4.6 40.7 1.0 CG2 A:ILE337 4.6 20.9 1.0 CG2 A:THR321 4.8 27.6 1.0 CB A:VAL302 4.8 42.9 1.0 O A:GLY323 4.9 27.2 1.0 O A:VAL302 4.9 38.5 1.0

Fluorine binding site 4 out of 5 in the Crystal Structure of PT2440 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 PT2440 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 F3 A:FOJ401 0.0 41.4 1.0 C9 A:FOJ401 1.4 40.7 1.0 F4 A:FOJ401 2.3 44.1 1.0 C1 A:FOJ401 2.6 31.7 1.0 C6 A:FOJ401 3.0 32.8 1.0 C7 A:FOJ401 3.1 30.3 1.0 CG2 A:ILE337 3.2 20.9 1.0 SG A:CYS339 3.5 30.3 1.0 O3 A:FOJ401 3.6 30.7 1.0 CG A:HIS248 3.6 25.8 1.0 C2 A:FOJ401 3.7 28.6 1.0 CB A:ILE337 3.7 24.7 1.0 CD1 A:ILE337 3.8 30.7 1.0 CB A:HIS248 3.8 24.9 1.0 CD2 A:HIS248 3.8 25.7 1.0 O4 A:FOJ401 4.0 26.4 1.0 ND1 A:HIS248 4.2 30.0 1.0 CG A:MET252 4.2 55.2 1.0 CG1 A:ILE337 4.3 27.6 1.0 C5 A:FOJ401 4.3 35.3 1.0 NE2 A:HIS248 4.4 29.7 1.0 F1 A:FOJ401 4.4 38.1 1.0 C8 A:FOJ401 4.5 30.4 1.0 CE1 A:HIS248 4.6 26.0 1.0 CD2 A:LEU296 4.9 32.6 1.0 C3 A:FOJ401 4.9 24.6 1.0

Fluorine binding site 5 out of 5 in the Crystal Structure of PT2440 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 PT2440 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:44.1 occ:1.00 F4 A:FOJ401 0.0 44.1 1.0 C9 A:FOJ401 1.4 40.7 1.0 F3 A:FOJ401 2.3 41.4 1.0 C1 A:FOJ401 2.5 31.7 1.0 O4 A:FOJ401 3.0 26.4 1.0 CG A:MET252 3.2 55.2 1.0 C2 A:FOJ401 3.2 28.6 1.0 ND1 A:HIS248 3.3 30.0 1.0 CB A:ALA277 3.3 39.1 1.0 C7 A:FOJ401 3.6 30.3 1.0 CG A:HIS248 3.6 25.8 1.0 CE1 A:HIS248 3.6 26.0 1.0 CB A:MET252 3.7 47.0 1.0 O A:MET252 3.8 33.4 1.0 O3 A:FOJ401 4.0 30.7 1.0 C6 A:FOJ401 4.0 32.8 1.0 CA A:MET252 4.0 39.7 1.0 CD2 A:HIS248 4.1 25.7 1.0 NE2 A:HIS248 4.1 29.7 1.0 CB A:HIS248 4.1 24.9 1.0 C13 A:FOJ401 4.2 28.0 1.0 C A:MET252 4.3 30.8 1.0 SD A:MET252 4.3 65.2 1.0 OH A:TYR281 4.4 29.2 1.0 C3 A:FOJ401 4.5 24.6 1.0 CA A:ALA277 4.7 36.0 1.0 C8 A:FOJ401 4.8 30.4 1.0 C12 A:FOJ401 4.8 24.9 1.0 N A:ALA277 4.9 32.2 1.0 SG A:CYS339 4.9 30.3 1.0 O A:HOH505 4.9 38.2 1.0

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