Chlorine in PDB 6ofl: Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(3- Cly); Ih Circular Permutant (50-51)

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

Resolution Low / High (Å)	36.52 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.220, 68.730, 60.880, 90.00, 100.57, 90.00
R / Rfree (%)	12.7 / 15.8

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

Chlorine binding site 1 out of 4 in the Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(3- Cly); Ih Circular Permutant (50-51)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(3- Cly); Ih Circular Permutant (50-51) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl15 b:16.2 occ:0.82 CL1 A:4NT15 0.0 16.2 0.8 CE2 A:4NT15 1.4 14.6 0.2 CE1 A:4NT15 1.7 14.5 0.8 CZ A:4NT15 2.3 13.5 0.2 OH A:4NT15 2.5 12.6 0.2 CD2 A:4NT15 2.6 14.5 0.2 CD1 A:4NT15 2.7 13.9 0.8 CZ A:4NT15 2.7 14.2 0.8 OG1 A:THR155 2.9 16.7 1.0 OH A:4NT15 3.0 15.9 0.8 CD A:GLU172 3.5 19.5 1.0 O A:HOH382 3.5 18.2 1.0 CE2 A:PHE95 3.6 17.4 1.0 OE2 A:GLU172 3.6 20.0 1.0 CE1 A:4NT15 3.7 14.4 0.2 OE1 A:GLU172 3.7 18.9 1.0 CB A:THR153 3.8 15.9 1.0 OG1 A:THR153 3.8 17.4 1.0 CG2 A:4NT15 3.9 14.3 0.2 CD2 A:PHE95 3.9 16.0 1.0 CG A:GLU172 3.9 17.7 1.0 CG2 A:4NT15 4.0 14.2 0.8 CE2 A:4NT15 4.1 15.3 0.8 CG1 A:VAL11 4.2 14.7 1.0 CB A:THR155 4.2 16.4 1.0 CD1 A:4NT15 4.2 13.1 0.2 CG2 A:THR153 4.2 16.8 1.0 CD2 A:4NT15 4.5 14.7 0.8 CZ A:PHE95 4.6 17.2 1.0 CG2 A:THR155 4.6 18.4 1.0 OG1 A:4NT15 4.8 15.1 0.8 O A:HOH357 5.0 25.4 1.0 OG1 A:4NT15 5.0 16.0 0.2

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(3- Cly); Ih Circular Permutant (50-51) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl15 b:18.6 occ:0.18 CL1 A:4NT15 0.0 18.6 0.2 CE2 A:4NT15 1.6 15.3 0.8 CE1 A:4NT15 1.8 14.4 0.2 CZ A:4NT15 2.4 14.2 0.8 OH A:4NT15 2.5 15.9 0.8 CD1 A:4NT15 2.7 13.1 0.2 CD2 A:4NT15 2.8 14.7 0.8 CZ A:4NT15 2.8 13.5 0.2 CB A:HIS98 3.1 16.4 1.0 OH A:4NT15 3.1 12.6 0.2 CE2 A:PHE115 3.2 15.2 1.0 CD2 A:PHE115 3.3 15.2 1.0 ND1 A:HIS98 3.5 17.0 1.0 CG A:HIS98 3.5 16.4 1.0 CG2 A:VAL100 3.5 16.1 1.0 CE1 A:4NT15 3.7 14.5 0.8 CG2 A:4NT15 4.0 14.2 0.8 CG2 A:VAL117 4.0 16.9 1.0 CG2 A:4NT15 4.1 14.3 0.2 CE2 A:4NT15 4.2 14.6 0.2 CZ A:PHE115 4.2 15.7 1.0 CG A:PHE115 4.2 14.5 1.0 CD1 A:4NT15 4.4 13.9 0.8 OG1 A:THR153 4.4 17.4 1.0 CA A:HIS98 4.4 16.7 1.0 CG2 A:THR153 4.4 16.8 1.0 CG2 A:THR12 4.5 14.4 1.0 CE1 A:HIS98 4.6 16.8 1.0 CD2 A:HIS98 4.6 17.0 1.0 CD2 A:4NT15 4.6 14.5 0.2 C A:HIS98 4.7 16.2 1.0 CB A:PHE115 4.9 14.9 1.0 O A:HIS98 4.9 18.7 1.0 CE1 A:PHE115 4.9 15.7 1.0 N A:HIS98 4.9 16.1 1.0 CB A:VAL100 5.0 14.8 1.0 CD1 A:PHE115 5.0 15.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(3- Cly); Ih Circular Permutant (50-51)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(3- Cly); Ih Circular Permutant (50-51) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl15 b:18.5 occ:0.79 CL1 B:4NT15 0.0 18.5 0.8 CE2 B:4NT15 1.3 15.3 0.2 CE1 B:4NT15 1.7 16.1 0.8 CZ B:4NT15 2.3 14.2 0.2 CD2 B:4NT15 2.5 15.9 0.2 OH B:4NT15 2.6 14.3 0.2 CD1 B:4NT15 2.7 15.4 0.8 CZ B:4NT15 2.7 15.4 0.8 OG1 B:THR155 2.9 17.6 1.0 OH B:4NT15 3.0 16.5 0.8 O B:HOH481 3.5 20.0 1.0 CD B:GLU172 3.5 18.6 1.0 CE2 B:PHE95 3.6 17.7 1.0 CE1 B:4NT15 3.6 14.5 0.2 OE2 B:GLU172 3.6 22.2 1.0 OE1 B:GLU172 3.7 19.7 1.0 CB B:THR153 3.8 16.8 1.0 CG2 B:4NT15 3.8 13.8 0.2 OG1 B:THR153 3.9 19.3 1.0 CG B:GLU172 3.9 17.6 1.0 CD2 B:PHE95 3.9 16.3 1.0 CG2 B:4NT15 4.0 15.3 0.8 CE2 B:4NT15 4.0 15.7 0.8 CB B:THR155 4.2 17.4 1.0 CG2 B:THR153 4.2 18.1 1.0 CD1 B:4NT15 4.2 13.3 0.2 CG1 B:VAL11 4.2 14.1 1.0 CD2 B:4NT15 4.5 15.3 0.8 CZ B:PHE95 4.5 19.5 1.0 CG2 B:THR155 4.6 19.3 1.0 OG1 B:4NT15 4.8 15.9 0.8 O B:HOH440 4.9 28.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(3- Cly); Ih Circular Permutant (50-51)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(3- Cly); Ih Circular Permutant (50-51) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl15 b:18.4 occ:0.21 CL1 B:4NT15 0.0 18.4 0.2 CE2 B:4NT15 1.5 15.7 0.8 CE1 B:4NT15 1.8 14.5 0.2 CZ B:4NT15 2.3 15.4 0.8 OH B:4NT15 2.5 16.5 0.8 CD2 B:4NT15 2.7 15.3 0.8 CD1 B:4NT15 2.7 13.3 0.2 CZ B:4NT15 2.8 14.2 0.2 OH B:4NT15 3.0 14.3 0.2 CB B:HIS98 3.3 18.6 1.0 CE2 B:PHE115 3.3 17.6 1.0 CD2 B:PHE115 3.4 17.9 1.0 ND1 B:HIS98 3.5 17.2 1.0 CG2 B:VAL100 3.5 27.5 1.0 CG B:HIS98 3.6 17.6 1.0 CE1 B:4NT15 3.7 16.1 0.8 CG2 B:4NT15 3.9 15.3 0.8 CG2 B:VAL117 4.0 18.3 1.0 CG2 B:4NT15 4.1 13.8 0.2 CE2 B:4NT15 4.1 15.3 0.2 CZ B:PHE115 4.2 18.2 1.0 CD1 B:4NT15 4.3 15.4 0.8 CG2 B:THR12 4.4 14.5 1.0 CG B:PHE115 4.5 17.5 1.0 CE1 B:HIS98 4.5 17.8 1.0 OG1 B:THR153 4.5 19.3 1.0 CG2 B:THR153 4.6 18.1 1.0 CA B:HIS98 4.6 19.0 1.0 CD2 B:4NT15 4.6 15.9 0.2 CD2 B:HIS98 4.7 18.4 1.0 CB B:VAL100 4.9 23.2 1.0 CE2 B:PHE95 5.0 17.7 1.0 C B:HIS98 5.0 18.9 1.0

C.Y.Lin, M.G.Romei, L.M.Oltrogge, I.I.Mathews, S.G.Boxer. Unified Model For Photophysical and Electro-Optical Properties of Green Fluorescent Proteins. J.Am.Chem.Soc. V. 141 15250 2019.
ISSN: ESSN 1520-5126
PubMed: 31450887
DOI: 10.1021/JACS.9B07152