Fluorine in PDB 6vah: Crystal Structure of Human TEAD2 Transcription Factor in Complex with Flufenamic Acid Derivative

The structure of Crystal Structure of Human TEAD2 Transcription Factor in Complex with Flufenamic Acid Derivative, PDB code: 6vah was solved by L.Halabelian, H.Zeng, A.Dong, Y.Li, L.Melin, A.Gagnon, C.Bountra, A.M.Edwards, C.H.Arrowsmith, V.Santhakumar, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.07 / 2.11
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	120.792, 61.307, 79.862, 90.00, 118.10, 90.00
R / Rfree (%)	20.4 / 24.3

The binding sites of Fluorine atom in the Crystal Structure of Human TEAD2 Transcription Factor in Complex with Flufenamic Acid Derivative (pdb code 6vah). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human TEAD2 Transcription Factor in Complex with Flufenamic Acid Derivative, PDB code: 6vah:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human TEAD2 Transcription Factor in Complex with Flufenamic Acid Derivative


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 Human TEAD2 Transcription Factor in Complex with Flufenamic Acid Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:65.5 occ:1.00 F A:QZ1501 0.0 65.5 1.0 C12 A:QZ1501 1.4 59.0 1.0 C13 A:QZ1501 2.3 50.7 1.0 C10 A:QZ1501 2.4 52.7 1.0 O1 A:QZ1501 2.7 70.6 1.0 C11 A:QZ1501 2.8 57.6 1.0 CB A:LYS357 3.4 49.5 1.0 SG A:CYS380 3.4 58.0 1.0 C14 A:QZ1501 3.6 51.9 1.0 C9 A:QZ1501 3.6 49.4 1.0 N A:LYS357 3.7 44.2 1.0 CB A:CYS380 3.7 52.9 1.0 O A:QZ1501 3.9 53.8 1.0 CG1 A:VAL355 3.9 57.1 1.0 C A:GLU356 4.0 47.0 1.0 CG2 A:VAL355 4.1 59.6 1.0 C15 A:QZ1501 4.1 55.6 1.0 CA A:LYS357 4.1 44.4 1.0 O A:GLU356 4.4 43.1 1.0 CG A:LYS357 4.5 52.0 1.0 N A:GLU356 4.5 44.8 1.0 CB A:VAL355 4.6 51.4 1.0 CA A:GLU356 4.6 44.4 1.0 C A:VAL355 4.6 46.8 1.0 O A:SER345 4.7 44.3 1.0 N A:QZ1501 4.8 51.0 1.0 O A:VAL355 4.8 47.2 1.0 NE2 B:GLN353 4.9 56.2 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human TEAD2 Transcription Factor in Complex with Flufenamic Acid Derivative


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 Human TEAD2 Transcription Factor in Complex with Flufenamic Acid Derivative within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:65.8 occ:1.00 F B:QZ1501 0.0 65.8 1.0 C12 B:QZ1501 1.4 57.0 1.0 C13 B:QZ1501 2.3 52.2 1.0 C10 B:QZ1501 2.4 57.9 1.0 O1 B:QZ1501 2.8 76.3 1.0 C11 B:QZ1501 2.8 57.6 1.0 CB B:LYS357 3.4 45.1 1.0 C14 B:QZ1501 3.6 53.5 1.0 SG B:CYS380 3.6 58.5 1.0 C9 B:QZ1501 3.6 47.8 1.0 CG1 B:VAL355 3.7 40.3 1.0 CB B:CYS380 3.8 55.3 1.0 O B:QZ1501 3.8 67.2 1.0 CD B:LYS357 3.9 54.0 1.0 C15 B:QZ1501 4.1 52.5 1.0 CG B:LYS357 4.2 45.8 1.0 N B:LYS357 4.5 42.9 1.0 CA B:LYS357 4.5 44.9 1.0 O B:SER345 4.7 41.0 1.0 CB B:VAL355 4.8 42.7 1.0 N B:QZ1501 4.8 51.9 1.0 N B:CYS380 4.8 49.4 1.0 CA B:CYS380 4.9 54.4 1.0

L.Halabelian, H.Zeng, A.Dong, Y.Li, L.Melin, A.Gagnon, C.Bountra, A.M.Edwards, C.H.Arrowsmith, V.Santhakumar, Structural Genomics Consortium (Sgc). Crystal Structure of Human TEAD2 Transcription Factor in Complex with Flufenamic Acid Derivative To Be Published.