Chlorine in PDB 6un4: Crystal Structure of RSEGFP2, Y67(3-Cly), Y107(3-Cly)

The structure of Crystal Structure of RSEGFP2, Y67(3-Cly), Y107(3-Cly), PDB code: 6un4 was solved by C.-Y.Lin, M.G.Romei, S.G.Boxer, J.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.53 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.341, 61.848, 69.057, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 19.8

The binding sites of Chlorine atom in the Crystal Structure of RSEGFP2, Y67(3-Cly), Y107(3-Cly) (pdb code 6un4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of RSEGFP2, Y67(3-Cly), Y107(3-Cly), PDB code: 6un4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of RSEGFP2, Y67(3-Cly), Y107(3-Cly)


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 RSEGFP2, Y67(3-Cly), Y107(3-Cly) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl68 b:27.1 occ:0.84 CL A:OHD68 0.0 27.1 0.8 CE1 A:OHD68 1.6 23.7 0.2 CE2 A:OHD68 1.8 22.4 0.8 CZ A:OHD68 2.5 21.3 0.2 OH A:OHD68 2.6 30.6 0.2 CZ A:OHD68 2.7 23.8 0.8 CD2 A:OHD68 2.7 21.5 0.8 CD1 A:OHD68 2.7 23.6 0.2 OH A:OHD68 3.0 25.3 0.8 CG1 A:VAL151 3.2 37.4 1.0 CB A:HIS149 3.6 24.0 1.0 ND1 A:HIS149 3.7 24.2 1.0 OG1 A:THR204 3.8 23.3 1.0 CD1 A:ILE168 3.8 47.8 1.0 CE2 A:OHD68 3.8 20.6 0.2 CE2 A:PHE166 3.8 24.9 1.0 CG A:HIS149 3.9 23.2 1.0 CG2 A:OHD68 4.0 23.1 0.2 CE1 A:OHD68 4.0 22.3 0.8 CD2 A:PHE166 4.0 23.8 1.0 CG2 A:OHD68 4.0 22.5 0.8 CG2 A:THR204 4.1 25.1 1.0 CD2 A:OHD68 4.4 19.1 0.2 CB A:VAL151 4.4 46.0 1.0 CB A:THR204 4.5 23.1 1.0 CG2 A:VAL151 4.5 29.3 1.0 CZ A:PHE166 4.5 24.4 1.0 CD1 A:OHD68 4.5 24.2 0.8 CE1 A:HIS149 4.7 22.4 1.0 CG2 A:THR63 4.8 20.0 1.0 CG A:PHE166 4.9 25.5 1.0 CA A:HIS149 4.9 25.2 1.0 CG1 A:ILE168 4.9 52.2 1.0 CD2 A:HIS149 5.0 25.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of RSEGFP2, Y67(3-Cly), Y107(3-Cly)


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 RSEGFP2, Y67(3-Cly), Y107(3-Cly) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl68 b:21.9 occ:0.16 CL A:OHD68 0.0 21.9 0.2 CE1 A:OHD68 1.6 22.3 0.8 CE2 A:OHD68 1.8 20.6 0.2 CZ A:OHD68 2.4 23.8 0.8 OG A:SER206 2.5 28.0 1.0 OH A:OHD68 2.6 25.3 0.8 CD1 A:OHD68 2.7 24.2 0.8 CZ A:OHD68 2.7 21.3 0.2 OE1 A:GLU223 2.8 29.4 1.0 CD2 A:OHD68 2.8 19.1 0.2 O A:HOH470 2.8 25.3 1.0 OH A:OHD68 3.0 30.6 0.2 CE2 A:TYR146 3.3 25.1 1.0 CD A:GLU223 3.6 29.7 1.0 CB A:SER206 3.7 27.8 1.0 CD2 A:TYR146 3.8 23.7 1.0 CE2 A:OHD68 3.8 22.4 0.8 CG1 A:VAL62 3.8 20.4 1.0 CG2 A:OHD68 4.0 22.5 0.8 CE1 A:OHD68 4.0 23.7 0.2 CG2 A:OHD68 4.1 23.1 0.2 CZ A:TYR146 4.2 29.3 1.0 OE2 A:GLU223 4.3 27.3 1.0 CG A:GLU223 4.3 23.8 1.0 CD2 A:OHD68 4.4 21.5 0.8 OH A:TYR146 4.5 25.9 1.0 CB A:THR204 4.5 23.1 1.0 CD1 A:OHD68 4.5 23.6 0.2 OG1 A:THR204 4.6 23.3 1.0 CA A:SER206 4.9 26.1 1.0 CG A:TYR146 4.9 24.3 1.0 N A:SER206 5.0 24.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of RSEGFP2, Y67(3-Cly), Y107(3-Cly)


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 RSEGFP2, Y67(3-Cly), Y107(3-Cly) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:27.9 occ:1.00 CL A:3CT301 0.0 27.9 1.0 CE2 A:3CT301 1.7 26.6 1.0 CZ A:3CT301 2.7 24.0 1.0 CD2 A:3CT301 2.7 26.8 1.0 OH A:3CT301 3.0 25.2 1.0 CG2 A:VAL23 3.5 32.3 1.0 CB A:VAL23 3.7 30.1 1.0 CE2 A:PHE131 3.7 28.7 1.0 CG1 A:VAL56 3.7 31.7 1.0 CZ A:PHE131 3.8 27.8 1.0 CE1 A:3CT301 4.0 22.0 1.0 CA A:GLY128 4.0 32.1 1.0 CG A:3CT301 4.0 25.6 1.0 CD2 A:LEU126 4.1 26.3 1.0 CD2 A:PHE131 4.3 31.0 1.0 CG1 A:VAL23 4.4 36.1 1.0 CD1 A:3CT301 4.5 20.3 1.0 CE1 A:PHE131 4.5 32.1 1.0 N A:GLY128 4.7 29.8 1.0 CB A:VAL56 4.7 28.9 1.0 CG2 A:ILE137 4.9 30.0 1.0 CA A:VAL23 4.9 30.8 1.0 CG A:PHE131 4.9 31.5 1.0 CG2 A:VAL56 5.0 31.6 1.0

M.G.Romei, C.Y.Lin, S.G.Boxer. Structural and Spectroscopic Characterization of Photoactive Yellow Protein and Photoswitchable Fluorescent Protein Constructs Containing Heavy Atoms. J Photochem Photobiol A Chem V. 401 12738 2020.
ISSN: ISSN 1010-6030
PubMed: 32753830
DOI: 10.1016/J.JPHOTOCHEM.2020.112738