Fluorine in PDB 6d0b: Crystal Structure of PT1614 Bound to HIF2A-B*:Arnt-B* Complex

The structure of Crystal Structure of PT1614 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6d0b was solved by X.Du, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.93 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.841, 83.254, 41.474, 90.00, 106.94, 90.00
R / Rfree (%)	19.8 / 23.5

The structure of Crystal Structure of PT1614 Bound to HIF2A-B*:Arnt-B* Complex also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of PT1614 Bound to HIF2A-B*:Arnt-B* Complex (pdb code 6d0b). 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 PT1614 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6d0b:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of PT1614 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 PT1614 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:21.3 occ:1.00 F4 A:FOV401 0.0 21.3 1.0 C13 A:FOV401 1.4 17.3 1.0 C8 A:FOV401 2.4 15.6 1.0 C12 A:FOV401 2.4 16.1 1.0 CE1 A:PHE244 3.1 15.7 1.0 ND2 A:ASN341 3.2 13.2 1.0 CZ A:PHE244 3.3 15.7 1.0 CG A:ASN341 3.4 12.7 1.0 C9 A:FOV401 3.6 15.6 1.0 OD1 A:ASN341 3.6 16.1 1.0 C11 A:FOV401 3.7 16.0 1.0 OG A:SER246 3.7 14.8 1.0 CZ A:PHE254 3.9 14.4 1.0 CE1 A:PHE254 4.0 13.8 1.0 CB A:ASN341 4.2 13.2 1.0 C10 A:FOV401 4.2 15.5 1.0 CD1 A:LEU319 4.3 28.4 1.0 CB A:SER246 4.3 12.4 1.0 CD1 A:PHE244 4.4 14.7 1.0 CE2 A:PHE244 4.6 14.6 1.0 SD A:MET309 4.7 16.8 1.0 CD1 A:ILE261 4.8 15.8 1.0 N2 A:FOV401 4.9 18.8 1.0 CE A:MET309 4.9 17.2 1.0 OH A:TYR307 5.0 18.4 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of PT1614 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 PT1614 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:25.2 occ:1.00 F1 A:FOV401 0.0 25.2 1.0 C7 A:FOV401 1.3 30.5 1.0 F3 A:FOV401 2.1 34.6 1.0 F2 A:FOV401 2.2 28.9 1.0 S1 A:FOV401 2.5 30.5 1.0 O1 A:FOV401 2.8 27.4 1.0 C1 A:FOV401 3.0 25.8 1.0 O A:THR321 3.0 22.9 1.0 C6 A:FOV401 3.3 24.3 1.0 N A:SER304 3.4 24.8 1.0 CB A:SER304 3.4 23.8 1.0 CG2 A:THR321 3.5 17.8 1.0 CA A:SER304 3.6 27.4 1.0 O A:VAL302 3.7 29.1 1.0 O2 A:FOV401 3.7 24.5 1.0 C A:THR321 3.7 20.3 1.0 N A:GLY323 3.7 19.3 1.0 CB A:THR321 3.7 18.2 1.0 C2 A:FOV401 3.8 25.2 1.0 C A:VAL303 4.0 31.4 1.0 CA A:GLY323 4.3 17.8 1.0 OG A:SER304 4.3 20.3 1.0 CA A:THR321 4.4 17.2 1.0 C A:GLN322 4.4 19.0 1.0 CG1 A:VAL302 4.4 35.9 1.0 C5 A:FOV401 4.4 18.4 1.0 C A:VAL302 4.4 33.0 1.0 CA A:VAL303 4.4 27.7 1.0 N A:GLN322 4.5 17.0 1.0 CA A:GLN322 4.5 20.0 1.0 O A:VAL303 4.7 32.8 1.0 C3 A:FOV401 4.8 23.1 1.0 N A:VAL303 4.9 31.0 1.0 N A:THR321 4.9 18.6 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of PT1614 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 PT1614 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:28.9 occ:1.00 F2 A:FOV401 0.0 28.9 1.0 C7 A:FOV401 1.3 30.5 1.0 F1 A:FOV401 2.2 25.2 1.0 F3 A:FOV401 2.2 34.6 1.0 S1 A:FOV401 2.5 30.5 1.0 O2 A:FOV401 2.8 24.5 1.0 C1 A:FOV401 3.1 25.8 1.0 CG1 A:VAL302 3.2 35.9 1.0 C2 A:FOV401 3.3 25.2 1.0 CA A:GLY323 3.4 17.8 1.0 CD2 A:LEU296 3.4 24.8 1.0 N A:GLY323 3.6 19.3 1.0 O1 A:FOV401 3.6 27.4 1.0 O A:VAL302 3.6 29.1 1.0 CD1 A:LEU296 4.1 24.1 1.0 C6 A:FOV401 4.2 24.3 1.0 CG A:LEU296 4.2 23.8 1.0 C A:GLY323 4.4 21.5 1.0 C3 A:FOV401 4.4 23.1 1.0 CB A:LEU296 4.4 27.3 1.0 C A:VAL302 4.4 33.0 1.0 CB A:VAL302 4.5 34.7 1.0 O A:GLY323 4.6 21.4 1.0 C A:GLN322 4.7 19.0 1.0 CG2 A:THR321 4.7 17.8 1.0 O3 A:FOV401 4.7 28.5 1.0 O A:THR321 4.8 22.9 1.0 CA A:VAL302 4.9 31.2 1.0 N A:VAL302 5.0 27.1 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of PT1614 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 PT1614 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:34.6 occ:1.00 F3 A:FOV401 0.0 34.6 1.0 C7 A:FOV401 1.4 30.5 1.0 F1 A:FOV401 2.1 25.2 1.0 F2 A:FOV401 2.2 28.9 1.0 S1 A:FOV401 2.5 30.5 1.0 CG1 A:VAL302 2.7 35.9 1.0 O1 A:FOV401 2.7 27.4 1.0 O2 A:FOV401 3.1 24.5 1.0 CG2 A:VAL302 3.3 32.5 1.0 O A:VAL302 3.4 29.1 1.0 CB A:VAL302 3.5 34.7 1.0 N A:SER304 3.5 24.8 1.0 C A:VAL303 3.6 31.4 1.0 C A:VAL302 3.6 33.0 1.0 CA A:SER304 3.7 27.4 1.0 O A:VAL303 3.7 32.8 1.0 C1 A:FOV401 3.9 25.8 1.0 CB A:SER292 4.0 29.9 1.0 N A:VAL303 4.1 31.0 1.0 CA A:VAL302 4.1 31.2 1.0 CB A:SER304 4.2 23.8 1.0 CA A:VAL303 4.2 27.7 1.0 OG A:SER292 4.3 37.9 1.0 O A:SER292 4.4 31.4 1.0 O A:THR321 4.5 22.9 1.0 C2 A:FOV401 4.6 25.2 1.0 C6 A:FOV401 4.7 24.3 1.0 N A:GLY323 4.7 19.3 1.0 C A:SER292 4.8 30.2 1.0 N A:VAL302 4.9 27.1 1.0 CA A:SER292 5.0 30.3 1.0

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