Fluorine in PDB 5dq8: Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid

The structure of Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid, PDB code: 5dq8 was solved by X.Han, X.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.66 / 2.31
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	120.819, 61.446, 80.416, 90.00, 117.55, 90.00
R / Rfree (%)	17.1 / 23.2

The binding sites of Fluorine atom in the Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid (pdb code 5dq8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid, PDB code: 5dq8:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in the Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid


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 Transcription Factor TEAD2 in Complex with Flufenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:35.8 occ:0.76 F1 A:FLF501 0.0 35.8 0.8 C7' A:FLF501 1.3 29.1 0.8 F2 A:FLF501 2.1 34.7 0.8 F3 A:FLF501 2.3 32.9 0.8 C3' A:FLF501 2.3 10.7 0.8 H2' A:FLF501 2.4 19.0 0.8 C2' A:FLF501 2.7 15.8 0.8 HB1 A:ALA235 2.8 23.1 1.0 HB2 A:ALA235 2.8 23.1 1.0 HE2 A:MET379 2.9 30.3 1.0 CB A:ALA235 3.1 19.3 1.0 HB3 A:ALA235 3.2 23.1 1.0 C4' A:FLF501 3.5 30.0 0.8 HG22 A:VAL329 3.7 33.6 1.0 CE A:MET379 3.7 25.3 1.0 HE1 A:MET379 3.8 30.3 1.0 H4' A:FLF501 3.8 36.0 0.8 C1' A:FLF501 4.0 26.6 0.8 HG21 A:VAL329 4.0 33.6 1.0 HD13 A:LEU383 4.1 31.2 1.0 HZ A:PHE233 4.2 40.5 1.0 CG2 A:VAL329 4.3 28.0 1.0 HE3 A:MET379 4.3 30.3 1.0 HG22 A:VAL252 4.4 45.2 1.0 HG3 A:MET379 4.6 38.7 1.0 CA A:ALA235 4.6 20.5 1.0 C5' A:FLF501 4.6 48.9 0.8 HG23 A:VAL329 4.6 33.6 1.0 HG21 A:VAL252 4.7 45.2 1.0 N A:FLF501 4.8 29.3 0.8 HN1 A:FLF501 4.8 35.2 0.8 HA A:ALA235 4.8 24.6 1.0 C6' A:FLF501 4.8 40.7 0.8 SD A:MET379 4.8 37.2 1.0 HD2 A:PHE251 4.9 31.0 1.0 CD1 A:LEU383 4.9 26.0 1.0 HE2 A:PHE233 4.9 52.3 1.0 HD12 A:ILE408 4.9 23.4 1.0 HD11 A:LEU383 5.0 31.2 1.0 HB2 A:PHE251 5.0 32.0 1.0 CG2 A:VAL252 5.0 37.7 1.0

Fluorine binding site 2 out of 9 in the Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid


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 Transcription Factor TEAD2 in Complex with Flufenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:34.7 occ:0.76 F2 A:FLF501 0.0 34.7 0.8 C7' A:FLF501 1.3 29.1 0.8 F1 A:FLF501 2.1 35.8 0.8 F3 A:FLF501 2.3 32.9 0.8 C3' A:FLF501 2.4 10.7 0.8 H2' A:FLF501 3.1 19.0 0.8 C2' A:FLF501 3.1 15.8 0.8 C4' A:FLF501 3.3 30.0 0.8 HD12 A:ILE408 3.3 23.4 1.0 H4' A:FLF501 3.4 36.0 0.8 HZ A:PHE428 3.4 24.9 1.0 HD11 A:ILE408 3.5 23.4 1.0 HE2 A:PHE428 3.7 23.5 1.0 CZ A:PHE428 3.8 20.7 1.0 CD1 A:ILE408 3.8 19.5 1.0 CE2 A:PHE428 3.9 19.6 1.0 HD13 A:LEU383 4.0 31.2 1.0 HD13 A:ILE408 4.2 23.4 1.0 C1' A:FLF501 4.4 26.6 0.8 C5' A:FLF501 4.5 48.9 0.8 HD11 A:LEU383 4.6 31.2 1.0 HE2 A:MET379 4.6 30.3 1.0 HB2 A:ALA235 4.7 23.1 1.0 CE1 A:PHE428 4.7 21.4 1.0 CD1 A:LEU383 4.7 26.0 1.0 HB3 A:ALA235 4.8 23.1 1.0 HB1 A:ALA235 4.8 23.1 1.0 HG21 A:VAL252 4.8 45.2 1.0 HD22 A:LEU383 4.8 44.1 1.0 CD2 A:PHE428 4.9 16.5 1.0 C6' A:FLF501 5.0 40.7 0.8 CB A:ALA235 5.0 19.3 1.0

Fluorine binding site 3 out of 9 in the Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid


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 Human Transcription Factor TEAD2 in Complex with Flufenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:32.9 occ:0.76 F3 A:FLF501 0.0 32.9 0.8 C7' A:FLF501 1.3 29.1 0.8 H4' A:FLF501 2.2 36.0 0.8 C3' A:FLF501 2.2 10.7 0.8 F2 A:FLF501 2.3 34.7 0.8 F1 A:FLF501 2.3 35.8 0.8 C4' A:FLF501 2.5 30.0 0.8 HG21 A:VAL252 3.0 45.2 1.0 HZ A:PHE233 3.2 40.5 1.0 HE2 A:PHE233 3.3 52.3 1.0 HE2 A:PHE428 3.3 23.5 1.0 HB2 A:ALA235 3.3 23.1 1.0 C2' A:FLF501 3.4 15.8 0.8 HG22 A:VAL252 3.4 45.2 1.0 HZ A:PHE428 3.6 24.9 1.0 CG2 A:VAL252 3.6 37.7 1.0 HB3 A:ALA235 3.6 23.1 1.0 H2' A:FLF501 3.8 19.0 0.8 C5' A:FLF501 3.8 48.9 0.8 CB A:ALA235 3.9 19.3 1.0 CZ A:PHE233 3.9 33.7 1.0 CE2 A:PHE233 3.9 43.6 1.0 CE2 A:PHE428 4.0 19.6 1.0 HG23 A:VAL252 4.0 45.2 1.0 CZ A:PHE428 4.1 20.7 1.0 HB1 A:ALA235 4.1 23.1 1.0 HD12 A:ILE408 4.2 23.4 1.0 H5' A:FLF501 4.4 58.6 0.8 C1' A:FLF501 4.5 26.6 0.8 HE2 A:PHE302 4.5 29.1 1.0 HG11 A:VAL252 4.5 40.7 1.0 C6' A:FLF501 4.7 40.7 0.8 CE2 A:PHE302 4.8 24.2 1.0 CB A:VAL252 4.9 42.9 1.0 HG13 A:VAL252 4.9 40.7 1.0 CD1 A:ILE408 4.9 19.5 1.0 HD2 A:PHE302 5.0 38.2 1.0 CG1 A:VAL252 5.0 34.0 1.0

Fluorine binding site 4 out of 9 in the Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid


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 Human Transcription Factor TEAD2 in Complex with Flufenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:47.2 occ:0.74 F1 B:FLF501 0.0 47.2 0.7 C7' B:FLF501 1.3 40.2 0.7 F2 B:FLF501 2.1 34.7 0.7 F3 B:FLF501 2.2 44.9 0.7 C3' B:FLF501 2.2 22.4 0.7 HB2 B:ALA235 2.5 26.3 1.0 H2' B:FLF501 2.7 23.6 0.7 C2' B:FLF501 2.8 19.6 0.7 HB1 B:ALA235 2.9 26.3 1.0 CB B:ALA235 3.0 21.9 1.0 HB3 B:ALA235 3.2 26.3 1.0 C4' B:FLF501 3.3 23.5 0.7 H4' B:FLF501 3.5 28.2 0.7 HG22 B:VAL329 3.6 17.2 1.0 HZ B:PHE233 3.6 24.9 1.0 HG21 B:VAL252 3.8 21.1 1.0 HG22 B:VAL252 3.8 21.1 1.0 HE2 B:MET379 3.9 29.8 1.0 C1' B:FLF501 4.1 14.0 0.7 HG21 B:VAL329 4.1 17.2 1.0 CG2 B:VAL252 4.2 17.6 1.0 CG2 B:VAL329 4.3 14.3 1.0 HD13 B:LEU383 4.3 65.1 1.0 CA B:ALA235 4.4 16.8 1.0 CZ B:PHE233 4.4 20.8 1.0 C5' B:FLF501 4.5 41.6 0.7 HE2 B:PHE233 4.5 30.4 1.0 HG23 B:VAL252 4.5 21.1 1.0 HG13 B:VAL329 4.6 38.3 1.0 HA B:ALA235 4.6 20.2 1.0 C6' B:FLF501 4.8 25.8 0.7 CE B:MET379 4.8 24.8 1.0 HD12 B:LEU383 4.8 65.1 1.0 HD11 B:LEU383 4.8 65.1 1.0 HD12 B:ILE408 4.8 20.6 1.0 CE2 B:PHE233 4.8 25.3 1.0 CD1 B:LEU383 4.9 54.3 1.0 HE2 B:PHE428 4.9 17.7 1.0 HG23 B:VAL329 4.9 17.2 1.0 HZ B:PHE428 4.9 22.2 1.0 HG11 B:VAL329 4.9 38.3 1.0 HE1 B:MET379 5.0 29.8 1.0

Fluorine binding site 5 out of 9 in the Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid


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 Human Transcription Factor TEAD2 in Complex with Flufenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:34.7 occ:0.74 F2 B:FLF501 0.0 34.7 0.7 C7' B:FLF501 1.3 40.2 0.7 F1 B:FLF501 2.1 47.2 0.7 F3 B:FLF501 2.2 44.9 0.7 C3' B:FLF501 2.3 22.4 0.7 H2' B:FLF501 2.7 23.6 0.7 C2' B:FLF501 2.8 19.6 0.7 HD13 B:LEU383 3.1 65.1 1.0 HD12 B:ILE408 3.4 20.6 1.0 HD11 B:ILE408 3.4 20.6 1.0 C4' B:FLF501 3.4 23.5 0.7 HD11 B:LEU383 3.5 65.1 1.0 H4' B:FLF501 3.7 28.2 0.7 CD1 B:ILE408 3.7 17.2 1.0 CD1 B:LEU383 3.7 54.3 1.0 HD13 B:ILE408 3.8 20.6 1.0 HZ B:PHE428 3.8 22.2 1.0 HD12 B:LEU383 4.1 65.1 1.0 C1' B:FLF501 4.1 14.0 0.7 HE2 B:PHE428 4.2 17.7 1.0 CZ B:PHE428 4.3 18.5 1.0 CE2 B:PHE428 4.5 14.7 1.0 HB2 B:ALA235 4.5 26.3 1.0 C5' B:FLF501 4.6 41.6 0.7 HD22 B:LEU383 4.6 66.3 1.0 HB1 B:ALA235 4.6 26.3 1.0 HG21 B:VAL252 4.8 21.1 1.0 C6' B:FLF501 4.9 25.8 0.7 HB3 B:ALA235 4.9 26.3 1.0 CB B:ALA235 4.9 21.9 1.0 HD21 B:LEU383 4.9 66.3 1.0 HE2 B:MET379 4.9 29.8 1.0 HZ B:PHE233 5.0 24.9 1.0

Fluorine binding site 6 out of 9 in the Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid


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 Human Transcription Factor TEAD2 in Complex with Flufenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:44.9 occ:0.74 F3 B:FLF501 0.0 44.9 0.7 C7' B:FLF501 1.3 40.2 0.7 H4' B:FLF501 2.2 28.2 0.7 F1 B:FLF501 2.2 47.2 0.7 F2 B:FLF501 2.2 34.7 0.7 C3' B:FLF501 2.3 22.4 0.7 C4' B:FLF501 2.5 23.5 0.7 HZ B:PHE428 2.8 22.2 1.0 HE2 B:PHE428 3.0 17.7 1.0 HG21 B:VAL252 3.1 21.1 1.0 HD12 B:ILE408 3.4 20.6 1.0 HZ B:PHE233 3.5 24.9 1.0 CZ B:PHE428 3.5 18.5 1.0 C2' B:FLF501 3.5 19.6 0.7 CE2 B:PHE428 3.6 14.7 1.0 HE2 B:PHE233 3.8 30.4 1.0 H2' B:FLF501 3.9 23.6 0.7 C5' B:FLF501 3.9 41.6 0.7 CG2 B:VAL252 3.9 17.6 1.0 HG22 B:VAL252 4.0 21.1 1.0 HB2 B:ALA235 4.0 26.3 1.0 CD1 B:ILE408 4.2 17.2 1.0 CZ B:PHE233 4.2 20.8 1.0 HE2 B:PHE302 4.2 35.7 1.0 HD13 B:ILE408 4.3 20.6 1.0 HG11 B:VAL252 4.3 17.5 1.0 HD11 B:ILE408 4.4 20.6 1.0 CE2 B:PHE233 4.4 25.3 1.0 HG23 B:VAL252 4.4 21.1 1.0 HB3 B:ALA235 4.5 26.3 1.0 H5' B:FLF501 4.5 49.9 0.7 C1' B:FLF501 4.6 14.0 0.7 CB B:ALA235 4.6 21.9 1.0 CE2 B:PHE302 4.7 29.8 1.0 HD2 B:PHE302 4.7 27.8 1.0 CE1 B:PHE428 4.7 12.0 1.0 C6' B:FLF501 4.8 25.8 0.7 HB1 B:ALA235 4.9 26.3 1.0 CD2 B:PHE302 4.9 23.2 1.0 CD2 B:PHE428 4.9 14.3 1.0 HG13 B:VAL252 4.9 17.5 1.0 CG1 B:VAL252 4.9 14.6 1.0

Fluorine binding site 7 out of 9 in the Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:0.5 occ:1.00 F1 B:FLF502 0.0 0.5 1.0 C7' B:FLF502 1.3 0.1 1.0 F3 B:FLF502 2.2 0.7 1.0 F2 B:FLF502 2.2 0.9 1.0 C3' B:FLF502 2.3 0.6 1.0 HD2 B:LYS277 2.4 93.9 1.0 H4' B:FLF502 2.6 1.0 1.0 HG11 B:VAL427 2.7 17.6 1.0 C4' B:FLF502 2.8 90.8 1.0 CD B:LYS277 3.2 78.2 1.0 HD3 B:LYS277 3.3 93.9 1.0 HG22 B:ILE274 3.3 38.6 1.0 HB B:ILE274 3.4 41.1 1.0 C2' B:FLF502 3.5 0.3 1.0 HG21 B:ILE274 3.5 38.6 1.0 CG1 B:VAL427 3.6 14.7 1.0 HG12 B:VAL427 3.7 17.6 1.0 CG2 B:ILE274 3.8 32.1 1.0 H2' B:FLF502 3.8 1.0 1.0 HG3 B:LYS277 4.0 63.1 1.0 CB B:ILE274 4.1 34.2 1.0 CG B:LYS277 4.1 52.6 1.0 HG13 B:VAL427 4.1 17.6 1.0 HE2 B:LYS277 4.1 0.2 1.0 C5' B:FLF502 4.2 69.8 1.0 HB2 B:LYS277 4.2 44.6 1.0 HG21 B:VAL427 4.3 14.1 1.0 CE B:LYS277 4.3 0.2 1.0 HB B:VAL427 4.4 12.9 1.0 HB3 B:LYS277 4.4 44.6 1.0 CB B:LYS277 4.5 37.2 1.0 CB B:VAL427 4.5 10.8 1.0 HE2 B:PHE278 4.5 39.2 1.0 HG21 B:THR407 4.5 23.6 1.0 HA B:ILE274 4.6 34.0 1.0 HD11 B:LEU299 4.6 26.9 1.0 HZ3 B:LYS277 4.6 0.9 1.0 HD12 B:ILE274 4.6 58.6 1.0 C1' B:FLF502 4.7 94.7 1.0 HG22 B:THR407 4.7 23.6 1.0 HG23 B:ILE274 4.7 38.6 1.0 H5' B:FLF502 4.8 83.8 1.0 CG2 B:VAL427 4.9 11.7 1.0 C6' B:FLF502 4.9 86.5 1.0 HD13 B:ILE274 4.9 58.6 1.0 CA B:ILE274 5.0 28.4 1.0 HG2 B:LYS277 5.0 63.1 1.0

Fluorine binding site 8 out of 9 in the Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:0.9 occ:1.00 F2 B:FLF502 0.0 0.9 1.0 C7' B:FLF502 1.4 0.1 1.0 F3 B:FLF502 2.2 0.7 1.0 F1 B:FLF502 2.2 0.5 1.0 H2' B:FLF502 2.3 1.0 1.0 C3' B:FLF502 2.3 0.6 1.0 C2' B:FLF502 2.7 0.3 1.0 HG11 B:VAL427 3.4 17.6 1.0 HG21 B:VAL427 3.6 14.1 1.0 C4' B:FLF502 3.6 90.8 1.0 HG22 B:ILE274 3.7 38.6 1.0 HG21 B:ILE274 3.8 38.6 1.0 H4' B:FLF502 4.0 1.0 1.0 C1' B:FLF502 4.0 94.7 1.0 HE2 B:LYS301 4.1 0.6 1.0 HD2 B:LYS277 4.1 93.9 1.0 HD21 B:LEU299 4.2 43.1 1.0 CG2 B:ILE274 4.2 32.1 1.0 HE3 B:LYS301 4.3 0.6 1.0 H5 B:FLF502 4.3 0.0 1.0 CG1 B:VAL427 4.4 14.7 1.0 HD11 B:LEU299 4.4 26.9 1.0 CG2 B:VAL427 4.5 11.7 1.0 HB B:VAL427 4.5 12.9 1.0 C5 B:FLF502 4.6 0.0 1.0 CE B:LYS301 4.6 0.0 1.0 CB B:VAL427 4.7 10.8 1.0 C5' B:FLF502 4.7 69.8 1.0 HZ1 B:LYS301 4.7 0.6 1.0 C6 B:FLF502 4.9 0.1 1.0 HG13 B:VAL427 4.9 17.6 1.0 C6' B:FLF502 4.9 86.5 1.0 HG23 B:ILE274 4.9 38.6 1.0 HG12 B:VAL427 4.9 17.6 1.0 HB B:ILE274 4.9 41.1 1.0 N B:FLF502 4.9 93.8 1.0 HG22 B:VAL427 4.9 14.1 1.0 HD22 B:LEU299 5.0 43.1 1.0

Fluorine binding site 9 out of 9 in the Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Human Transcription Factor TEAD2 in Complex with Flufenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:0.7 occ:1.00 F3 B:FLF502 0.0 0.7 1.0 C7' B:FLF502 1.3 0.1 1.0 F1 B:FLF502 2.2 0.5 1.0 F2 B:FLF502 2.2 0.9 1.0 C3' B:FLF502 2.3 0.6 1.0 HD2 B:LYS277 2.5 93.9 1.0 C4' B:FLF502 3.1 90.8 1.0 H4' B:FLF502 3.1 1.0 1.0 C2' B:FLF502 3.2 0.3 1.0 HE2 B:LYS277 3.2 0.2 1.0 H2' B:FLF502 3.3 1.0 1.0 CD B:LYS277 3.4 78.2 1.0 HZ3 B:LYS277 3.4 0.9 1.0 HG22 B:ILE274 3.6 38.6 1.0 CE B:LYS277 3.7 0.2 1.0 HD3 B:LYS277 3.8 93.9 1.0 NZ B:LYS277 4.0 0.4 1.0 HG3 B:LYS277 4.3 63.1 1.0 C5' B:FLF502 4.4 69.8 1.0 CG2 B:ILE274 4.4 32.1 1.0 C1' B:FLF502 4.4 94.7 1.0 HG21 B:ILE274 4.4 38.6 1.0 HG11 B:VAL427 4.5 17.6 1.0 CG B:LYS277 4.5 52.6 1.0 HZ1 B:LYS277 4.5 0.9 1.0 H5 B:FLF502 4.6 0.0 1.0 HE3 B:LYS277 4.6 0.2 1.0 HZ2 B:LYS277 4.6 0.9 1.0 HB B:ILE274 4.7 41.1 1.0 HA B:ILE274 4.9 34.0 1.0 C6' B:FLF502 4.9 86.5 1.0

A.V.Pobbati, X.Han, A.W.Hung, S.Weiguang, N.Huda, G.Y.Chen, C.Kang, C.S.Chia, X.Luo, W.Hong, A.Poulsen. Targeting the Central Pocket in Human Transcription Factor Tead As A Potential Cancer Therapeutic Strategy. Structure V. 23 2076 2015.
ISSN: ISSN 1878-4186
PubMed: 26592798
DOI: 10.1016/J.STR.2015.09.009