Fluorine in PDB 6un5: Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51)

The structure of Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51), PDB code: 6un5 was solved by C.-Y.Lin, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.93 / 1.36
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.394, 68.464, 60.596, 90.00, 102.07, 90.00
R / Rfree (%)	17.4 / 20.5

The binding sites of Fluorine atom in the Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51) (pdb code 6un5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51), PDB code: 6un5:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51)


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 Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51) within 5.0Å range: probe atom residue distance (Å) B Occ A:F15 b:21.0 occ:1.00 F1 A:QC415 0.0 21.0 1.0 CE2 A:QC415 1.3 19.9 1.0 CD2 A:QC415 2.3 19.5 1.0 CZ A:QC415 2.4 22.9 1.0 F2 A:QC415 2.7 18.8 1.0 OH A:QC415 2.8 24.0 1.0 CB A:HIS98 3.4 19.5 1.0 CE2 A:PHE115 3.4 18.4 1.0 CG2 A:VAL100 3.4 20.0 1.0 CD2 A:PHE115 3.6 18.3 1.0 ND1 A:HIS98 3.7 20.8 1.0 CG2 A:QC415 3.7 18.7 1.0 CE1 A:QC415 3.7 28.2 1.0 CG A:HIS98 3.8 19.3 1.0 OG1 A:THR153 4.1 23.1 1.0 CD1 A:QC415 4.2 24.7 1.0 CG2 A:THR153 4.2 21.6 1.0 CZ A:PHE115 4.2 18.6 1.0 CG2 A:VAL117 4.3 21.8 1.0 CG2 A:THR12 4.4 15.7 1.0 CG A:PHE115 4.6 18.9 1.0 CA A:HIS98 4.6 20.9 1.0 CB A:THR153 4.7 21.1 1.0 CE1 A:HIS98 4.7 22.1 1.0 CB2 A:QC415 4.8 18.0 1.0 C A:HIS98 4.9 20.9 1.0 F3 A:QC415 4.9 33.9 1.0 O A:HOH541 4.9 25.8 1.0 CB A:VAL100 4.9 16.2 1.0 CD2 A:HIS98 4.9 19.0 1.0

Fluorine binding site 2 out of 6 in the Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51)


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 Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51) within 5.0Å range: probe atom residue distance (Å) B Occ A:F15 b:18.8 occ:1.00 F2 A:QC415 0.0 18.8 1.0 CD2 A:QC415 1.3 19.5 1.0 CG2 A:QC415 2.4 18.7 1.0 CE2 A:QC415 2.4 19.9 1.0 F1 A:QC415 2.7 21.0 1.0 CB2 A:QC415 2.7 18.0 1.0 CZ A:PHE115 3.0 18.6 1.0 CE2 A:PHE115 3.2 18.4 1.0 CG2 A:VAL100 3.3 20.0 1.0 O A:HOH541 3.6 25.8 1.0 CD1 A:QC415 3.7 24.7 1.0 NE2 A:GLN19 3.7 18.7 1.0 CZ A:QC415 3.8 22.9 1.0 CE1 A:PHE115 3.9 18.2 1.0 NH2 A:ARG46 4.0 15.8 1.0 CG2 A:THR12 4.0 15.7 1.0 CA2 A:QC415 4.1 15.5 1.0 CD2 A:PHE115 4.1 18.3 1.0 CE1 A:QC415 4.2 28.2 1.0 CB A:THR12 4.4 14.4 1.0 CB A:VAL100 4.5 16.2 1.0 CG1 A:VAL100 4.6 16.4 1.0 CD1 A:PHE115 4.7 19.6 1.0 OH A:QC415 4.8 24.0 1.0 CZ A:ARG46 4.8 14.8 1.0 CG A:PHE115 4.8 18.9 1.0 C2 A:QC415 4.9 13.9 1.0 CD A:GLN19 4.9 15.5 1.0 O2 A:QC415 4.9 14.8 1.0

Fluorine binding site 3 out of 6 in the Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51)


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 Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51) within 5.0Å range: probe atom residue distance (Å) B Occ A:F15 b:33.9 occ:1.00 F3 A:QC415 0.0 33.9 1.0 CE1 A:QC415 1.4 28.2 1.0 CD1 A:QC415 2.4 24.7 1.0 CZ A:QC415 2.4 22.9 1.0 OG1 A:THR155 2.7 23.5 0.8 OH A:QC415 2.8 24.0 1.0 OE1 A:GLU172 2.9 40.3 1.0 O A:HOH471 3.1 21.6 1.0 CD A:GLU172 3.3 32.0 1.0 CG2 A:THR155 3.6 27.3 0.2 CE2 A:QC415 3.7 19.9 1.0 CG2 A:QC415 3.8 18.7 1.0 CE2 A:PHE95 3.8 24.1 1.0 OE2 A:GLU172 3.8 30.7 1.0 CB A:THR155 3.9 23.2 0.8 CB A:THR155 4.0 28.2 0.2 CD2 A:PHE95 4.0 24.8 1.0 CG1 A:VAL11 4.0 17.8 1.0 CG A:GLU172 4.0 27.1 1.0 CB A:THR153 4.2 21.1 1.0 CD2 A:QC415 4.2 19.5 1.0 OG1 A:THR153 4.3 23.1 1.0 CG2 A:THR155 4.4 24.3 0.8 CG2 A:THR153 4.7 21.6 1.0 OG1 A:THR155 4.7 29.3 0.2 OG1 A:QC415 4.7 22.0 1.0 CZ A:PHE95 4.8 24.9 1.0 F1 A:QC415 4.9 21.0 1.0 CB2 A:QC415 5.0 18.0 1.0

Fluorine binding site 4 out of 6 in the Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51)


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 Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51) within 5.0Å range: probe atom residue distance (Å) B Occ B:F15 b:28.6 occ:1.00 F1 B:QC415 0.0 28.6 1.0 CE2 B:QC415 1.4 24.9 1.0 CD2 B:QC415 2.4 24.0 1.0 CZ B:QC415 2.4 26.1 1.0 F2 B:QC415 2.7 30.4 1.0 OH B:QC415 2.8 27.9 1.0 CE2 B:PHE115 3.4 28.8 1.0 CG2 B:VAL100 3.5 30.0 1.0 CB B:HIS98 3.5 25.2 1.0 ND1 B:HIS98 3.6 24.6 1.0 CD2 B:PHE115 3.7 28.3 1.0 CG2 B:QC415 3.7 23.5 1.0 CE1 B:QC415 3.8 29.5 1.0 CG B:HIS98 3.8 24.7 1.0 CG2 B:VAL117 4.0 24.8 1.0 CG2 B:THR12 4.2 22.2 1.0 OG1 B:THR153 4.2 28.8 1.0 CD1 B:QC415 4.2 28.1 1.0 CZ B:PHE115 4.3 27.2 1.0 CG2 B:THR153 4.5 28.6 1.0 CE1 B:HIS98 4.7 25.7 1.0 CG B:PHE115 4.7 28.1 1.0 CA B:HIS98 4.8 26.2 1.0 CB2 B:QC415 4.9 24.4 1.0 F3 B:QC415 4.9 34.4 1.0 CD2 B:HIS98 4.9 26.2 1.0 CB B:THR153 4.9 30.1 1.0 CB B:VAL100 5.0 31.7 1.0

Fluorine binding site 5 out of 6 in the Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51)


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 Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51) within 5.0Å range: probe atom residue distance (Å) B Occ B:F15 b:30.4 occ:1.00 F2 B:QC415 0.0 30.4 1.0 CD2 B:QC415 1.4 24.0 1.0 CE2 B:QC415 2.4 24.9 1.0 CG2 B:QC415 2.4 23.5 1.0 F1 B:QC415 2.7 28.6 1.0 CB2 B:QC415 2.8 24.4 1.0 CZ B:PHE115 3.1 27.2 1.0 CE2 B:PHE115 3.1 28.8 1.0 CG2 B:VAL100 3.3 30.0 1.0 CD1 B:QC415 3.7 28.1 1.0 CZ B:QC415 3.8 26.1 1.0 O B:HOH470 3.9 34.5 1.0 NH2 B:ARG46 3.9 22.2 1.0 CG2 B:THR12 3.9 22.2 1.0 CE1 B:PHE115 4.0 27.0 1.0 NE2 B:GLN19 4.1 34.4 1.0 CA2 B:QC415 4.1 23.7 1.0 CD2 B:PHE115 4.1 28.3 1.0 CE1 B:QC415 4.2 29.5 1.0 CB B:THR12 4.2 20.1 1.0 CB B:VAL100 4.5 31.7 1.0 CG1 B:VAL100 4.6 32.0 1.0 CZ B:ARG46 4.6 23.7 1.0 OH B:QC415 4.8 27.9 1.0 CD1 B:PHE115 4.8 29.7 1.0 CG B:PHE115 4.9 28.1 1.0 C2 B:QC415 4.9 23.0 1.0 O2 B:QC415 4.9 23.6 1.0 CA B:THR12 4.9 18.4 1.0

Fluorine binding site 6 out of 6 in the Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51)


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 Green Fluorescent Protein (Gfp); S65T, Y66(2,3,5- F3Y); Ih Circular Permutant (50-51) within 5.0Å range: probe atom residue distance (Å) B Occ B:F15 b:34.4 occ:1.00 F3 B:QC415 0.0 34.4 1.0 CE1 B:QC415 1.4 29.5 1.0 CD1 B:QC415 2.4 28.1 1.0 CZ B:QC415 2.5 26.1 1.0 OG1 B:THR155 2.7 29.3 0.9 CG2 B:THR155 2.8 31.5 0.1 OH B:QC415 2.8 27.9 1.0 O B:HOH456 3.0 24.6 1.0 CD B:GLU172 3.4 35.0 1.0 OE1 B:GLU172 3.5 35.5 1.0 OE2 B:GLU172 3.5 34.3 1.0 CE2 B:QC415 3.8 24.9 1.0 CG2 B:QC415 3.8 23.5 1.0 CB B:THR153 3.8 30.1 1.0 CE2 B:PHE95 4.0 26.3 1.0 CB B:THR155 4.0 29.7 0.9 CG B:GLU172 4.0 31.2 1.0 CB B:THR155 4.1 31.2 0.1 OG1 B:THR153 4.1 28.8 1.0 OG1 B:THR155 4.2 34.0 0.1 CG2 B:THR153 4.2 28.6 1.0 CD2 B:PHE95 4.2 23.7 1.0 CD2 B:QC415 4.2 24.0 1.0 CG1 B:VAL11 4.4 18.1 1.0 CG2 B:THR155 4.6 28.4 0.9 F1 B:QC415 4.9 28.6 1.0 OG1 B:QC415 4.9 22.8 1.0 CB2 B:QC415 5.0 24.4 1.0

C.Y.Lin, S.G.Boxer. Unusual Spectroscopic and Electric Field Sensitivity of Chromophores with Short Hydrogen Bonds: Gfp and Pyp As Model Systems. J.Phys.Chem.B V. 124 9513 2020.
ISSN: ISSN 1089-5647
PubMed: 33073990
DOI: 10.1021/ACS.JPCB.0C07730