Fluorine in PDB 6x37: Crystal Structure of PT3245 Bound to HIF2A-B*:Arnt-B* Complex

The structure of Crystal Structure of PT3245 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6x37 was solved by X.Du, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.99 / 1.94
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.298, 83.974, 41.433, 90, 106.31, 90
R / Rfree (%)	21.6 / 28.2

The binding sites of Fluorine atom in the Crystal Structure of PT3245 Bound to HIF2A-B*:Arnt-B* Complex (pdb code 6x37). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of PT3245 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6x37:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of PT3245 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 PT3245 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:31.7 occ:1.00 F4 A:ULS401 0.0 31.7 1.0 C11 A:ULS401 1.3 28.5 1.0 C10 A:ULS401 2.3 33.0 1.0 C12 A:ULS401 2.4 29.4 1.0 CG A:ASN341 3.2 27.4 1.0 ND2 A:ASN341 3.3 27.6 1.0 CZ A:PHE244 3.4 32.0 1.0 OD1 A:ASN341 3.5 29.2 1.0 CE1 A:PHE244 3.5 28.7 1.0 C15 A:ULS401 3.6 31.3 1.0 C13 A:ULS401 3.6 28.0 1.0 CB A:ASN341 3.9 28.5 1.0 OG A:SER246 3.9 27.4 1.0 C14 A:ULS401 4.1 27.1 1.0 CD1 A:LEU319 4.2 35.1 1.0 OH A:TYR307 4.3 35.4 1.0 CZ A:PHE254 4.3 28.9 1.0 CE1 A:PHE254 4.4 30.6 1.0 C16 A:ULS401 4.5 30.5 1.0 CB A:SER246 4.6 26.0 1.0 CE2 A:PHE244 4.6 30.1 1.0 O2 A:ULS401 4.7 28.0 1.0 CD1 A:PHE244 4.7 28.3 1.0 SD A:MET309 4.7 38.6 1.0 OG1 A:THR321 5.0 27.4 1.0 CD1 A:ILE261 5.0 29.7 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of PT3245 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 PT3245 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:38.8 occ:1.00 F1 A:ULS401 0.0 38.8 1.0 C4 A:ULS401 1.3 38.5 1.0 F3 A:ULS401 2.1 46.2 1.0 F2 A:ULS401 2.1 42.2 1.0 C1 A:ULS401 2.3 33.7 1.0 N1 A:ULS401 2.6 26.8 1.0 CB A:SER304 3.3 32.2 1.0 C7 A:ULS401 3.6 32.2 1.0 CE A:MET289 3.7 30.1 1.0 CA A:SER304 3.9 40.3 1.0 C3 A:ULS401 3.9 27.7 1.0 CG1 A:VAL302 4.0 36.2 1.0 CB A:SER292 4.1 40.3 1.0 N A:SER304 4.1 44.4 1.0 O A:THR321 4.1 27.2 1.0 CG2 A:THR321 4.3 28.4 1.0 CB A:THR321 4.3 25.1 1.0 C6 A:ULS401 4.5 37.8 1.0 OG A:SER304 4.5 27.3 1.0 OG A:SER292 4.6 43.0 1.0 O1 A:ULS401 4.7 38.4 1.0 C8 A:ULS401 4.7 29.9 1.0 O A:HOH503 4.7 47.6 1.0 C2 A:ULS401 4.8 26.8 1.0 C A:THR321 4.9 28.2 1.0 SD A:MET289 4.9 40.3 1.0 C A:VAL303 4.9 46.1 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of PT3245 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 PT3245 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:42.2 occ:1.00 F2 A:ULS401 0.0 42.2 1.0 C4 A:ULS401 1.3 38.5 1.0 F1 A:ULS401 2.1 38.8 1.0 F3 A:ULS401 2.2 46.2 1.0 C1 A:ULS401 2.3 33.7 1.0 C7 A:ULS401 3.0 32.2 1.0 CD2 A:LEU296 3.1 37.3 1.0 N1 A:ULS401 3.3 26.8 1.0 C6 A:ULS401 3.3 37.8 1.0 CG1 A:VAL302 3.3 36.2 1.0 CA A:GLY323 3.9 26.2 1.0 O1 A:ULS401 3.9 38.4 1.0 N A:GLY323 4.1 34.9 1.0 C8 A:ULS401 4.3 29.9 1.0 CG A:LEU296 4.5 41.5 1.0 C3 A:ULS401 4.5 27.7 1.0 CG2 A:THR321 4.5 28.4 1.0 SG A:CYS339 4.7 32.7 1.0 C5 A:ULS401 4.7 37.9 1.0 CB A:LEU296 4.8 40.9 1.0 C2 A:ULS401 4.8 26.8 1.0 CB A:VAL302 4.9 37.3 1.0 O A:VAL302 4.9 40.6 1.0 O A:THR321 4.9 27.2 1.0 C A:GLY323 4.9 34.1 1.0 CD1 A:LEU296 5.0 34.9 1.0 C A:GLN322 5.0 31.5 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of PT3245 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 PT3245 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:46.2 occ:1.00 F3 A:ULS401 0.0 46.2 1.0 C4 A:ULS401 1.3 38.5 1.0 F1 A:ULS401 2.1 38.8 1.0 F2 A:ULS401 2.2 42.2 1.0 C1 A:ULS401 2.3 33.7 1.0 O1 A:ULS401 2.8 38.4 1.0 C7 A:ULS401 2.8 32.2 1.0 C6 A:ULS401 3.1 37.8 1.0 O A:HOH503 3.3 47.6 1.0 N1 A:ULS401 3.3 26.8 1.0 CB A:SER292 3.7 40.3 1.0 N A:HIS293 3.8 44.8 1.0 C A:SER292 3.9 45.5 1.0 CD2 A:LEU296 4.1 37.3 1.0 C8 A:ULS401 4.1 29.9 1.0 CA A:HIS293 4.1 42.3 1.0 CG1 A:VAL302 4.2 36.2 1.0 O A:SER292 4.2 48.8 1.0 O A:MET289 4.2 53.7 1.0 CE A:MET289 4.2 30.1 1.0 C3 A:ULS401 4.4 27.7 1.0 CA A:SER292 4.5 43.0 1.0 CB A:HIS293 4.6 45.1 1.0 C5 A:ULS401 4.6 37.9 1.0 C2 A:ULS401 4.7 26.8 1.0 OG A:SER292 4.7 43.0 1.0 OH A:TYR281 4.7 31.4 1.0 ND1 A:HIS293 4.9 46.1 1.0

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