Chlorine in PDB 6pfu: RSEGFP2 with A Chlorinated Chromophore in the Non-Fluorescent Off- State in A Contracted Unit Cell

The structure of RSEGFP2 with A Chlorinated Chromophore in the Non-Fluorescent Off- State in A Contracted Unit Cell, PDB code: 6pfu was solved by J.Chang, M.G.Romei, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.86 / 1.62
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.320, 59.479, 65.408, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 20.8

The binding sites of Chlorine atom in the RSEGFP2 with A Chlorinated Chromophore in the Non-Fluorescent Off- State in A Contracted Unit Cell (pdb code 6pfu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the RSEGFP2 with A Chlorinated Chromophore in the Non-Fluorescent Off- State in A Contracted Unit Cell, PDB code: 6pfu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the RSEGFP2 with A Chlorinated Chromophore in the Non-Fluorescent Off- State in A Contracted Unit Cell


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of RSEGFP2 with A Chlorinated Chromophore in the Non-Fluorescent Off- State in A Contracted Unit Cell within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl68 b:16.5 occ:0.48 CL A:OHD68 0.0 16.5 0.5 CE2 A:OHD68 1.8 16.6 0.5 CD2 A:OHD68 2.7 16.7 0.5 CZ A:OHD68 2.8 19.3 0.5 OH A:OHD68 3.1 21.8 0.5 CZ A:PHE166 3.3 18.5 1.0 CD2 A:OHD68 3.3 17.4 0.5 CE1 A:PHE166 3.4 19.9 1.0 OE1 A:GLN184 3.6 17.6 1.0 NH2 A:ARG97 3.7 16.7 1.0 CG1 A:VAL151 3.9 19.9 0.5 CG2 A:VAL151 3.9 21.5 0.5 CG1 A:VAL151 3.9 21.7 0.5 CG2 A:OHD68 4.0 17.1 0.5 CB2 A:OHD68 4.1 17.4 0.5 CG2 A:VAL151 4.1 18.3 0.5 CE1 A:OHD68 4.1 18.0 0.5 CD1 A:LEU70 4.1 15.6 1.0 CE2 A:PHE166 4.1 17.5 1.0 CL A:OHD68 4.1 20.8 0.5 CE2 A:OHD68 4.2 17.4 0.5 CD1 A:PHE166 4.2 19.7 1.0 CG2 A:OHD68 4.2 16.9 0.5 CB A:VAL151 4.3 20.2 0.5 CB A:VAL151 4.3 20.4 0.5 CD1 A:OHD68 4.6 17.6 0.5 CD A:GLN184 4.6 19.1 1.0 O2 A:OHD68 4.6 15.3 0.5 CD2 A:LEU70 4.8 14.5 1.0 CZ A:ARG97 4.8 17.3 1.0 CD2 A:PHE166 4.8 19.3 1.0 CG A:PHE166 4.9 20.2 1.0 NE2 A:GLN184 4.9 20.8 1.0 O2 A:OHD68 5.0 13.4 0.5

Chlorine binding site 2 out of 2 in the RSEGFP2 with A Chlorinated Chromophore in the Non-Fluorescent Off- State in A Contracted Unit Cell


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of RSEGFP2 with A Chlorinated Chromophore in the Non-Fluorescent Off- State in A Contracted Unit Cell within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl68 b:20.8 occ:0.52 CL A:OHD68 0.0 20.8 0.5 OH A:OHD68 1.2 21.8 0.5 CZ A:OHD68 1.7 19.3 0.5 CE2 A:OHD68 1.8 17.4 0.5 CE1 A:OHD68 1.8 18.0 0.5 CZ A:OHD68 2.7 19.2 0.5 CD2 A:OHD68 2.7 17.4 0.5 ND1 A:HIS149 2.8 24.1 0.6 OH A:OHD68 2.9 21.5 0.5 CE2 A:OHD68 3.0 16.6 0.5 CD1 A:OHD68 3.1 17.6 0.5 CG2 A:VAL151 3.2 21.5 0.5 CG1 A:VAL151 3.5 21.7 0.5 CB A:HIS149 3.5 22.5 0.4 CB A:HIS149 3.5 22.6 0.6 CG A:HIS149 3.5 22.6 0.6 OG1 A:THR204 3.6 18.1 1.0 ND1 A:HIS149 3.7 19.3 0.4 CE1 A:HIS149 3.9 24.2 0.6 CG A:HIS149 3.9 20.8 0.4 CD1 A:ILE168 3.9 21.2 1.0 CD2 A:OHD68 4.0 16.7 0.5 CG2 A:OHD68 4.0 17.1 0.5 CE1 A:OHD68 4.0 17.2 0.5 CG2 A:OHD68 4.0 16.9 0.5 CG2 A:THR204 4.0 22.2 1.0 CE2 A:PHE166 4.1 17.5 1.0 CL A:OHD68 4.1 16.5 0.5 CB A:THR204 4.4 16.9 1.0 CD2 A:PHE166 4.4 19.3 1.0 CD1 A:OHD68 4.5 19.1 0.5 CB A:VAL151 4.7 20.2 0.5 CZ A:PHE166 4.7 18.5 1.0 CB A:VAL151 4.7 20.4 0.5 CD2 A:HIS149 4.8 25.0 0.6 CG2 A:THR63 4.8 14.3 1.0 CE1 A:HIS149 4.8 20.4 0.4 CA A:HIS149 4.8 22.4 0.6 CA A:HIS149 4.8 22.6 0.4 CG2 A:VAL151 4.8 18.3 0.5 NE2 A:HIS149 4.9 23.4 0.6

J.Chang, M.G.Romei, S.G.Boxer. Structural Evidence of Photoisomerization Pathways in Fluorescent Proteins. J.Am.Chem.Soc. V. 141 15504 2019.
ISSN: ESSN 1520-5126
PubMed: 31533429
DOI: 10.1021/JACS.9B08356