Chlorine in PDB 4ohs: The Structure of A Far-Red Fluorescent Protein, AQ143

The structure of The Structure of A Far-Red Fluorescent Protein, AQ143, PDB code: 4ohs was solved by T.M.Wannier, S.L.Mayo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.33 / 2.19
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.967, 68.114, 132.788, 98.38, 90.74, 110.47
R / Rfree (%)	19 / 22.1

The binding sites of Chlorine atom in the The Structure of A Far-Red Fluorescent Protein, AQ143 (pdb code 4ohs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Structure of A Far-Red Fluorescent Protein, AQ143, PDB code: 4ohs:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Structure of A Far-Red Fluorescent Protein, AQ143


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of A Far-Red Fluorescent Protein, AQ143 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:60.6 occ:1.00 O A:HOH443 3.4 45.1 1.0 N A:TYR55 3.5 36.8 1.0 CA A:ALA54 3.7 40.5 1.0 C A:ALA54 4.1 38.4 1.0 NZ A:LYS135 4.2 57.1 1.0 CD A:LYS135 4.3 54.9 1.0 CB A:ALA54 4.3 41.5 1.0 CG A:LYS135 4.3 50.8 1.0 OH A:TYR210 4.4 42.3 1.0 CB A:TYR55 4.4 37.5 1.0 O A:PHE53 4.5 41.2 1.0 CB A:LYS135 4.5 49.8 1.0 CA A:TYR55 4.6 36.1 1.0 N A:ALA54 4.7 40.8 1.0 CE A:LYS135 4.8 56.3 1.0 C A:PHE53 5.0 41.4 1.0

Chlorine binding site 2 out of 4 in the The Structure of A Far-Red Fluorescent Protein, AQ143


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of A Far-Red Fluorescent Protein, AQ143 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:74.2 occ:1.00 OH B:TYR210 3.6 86.1 1.0 N B:TYR55 3.7 50.5 1.0 CB B:TYR55 4.2 54.9 1.0 CA B:ALA54 4.3 49.5 1.0 CE1 B:TYR210 4.3 79.4 1.0 O B:HOH440 4.3 48.0 1.0 CD B:LYS135 4.3 59.3 1.0 NZ B:LYS135 4.4 63.3 1.0 CZ B:TYR210 4.4 80.2 1.0 O B:HOH449 4.4 62.6 1.0 C B:ALA54 4.5 49.3 1.0 CA B:TYR55 4.6 51.4 1.0 O B:PHE53 4.7 47.8 1.0 CE B:LYS135 4.8 61.2 1.0 CG B:LYS135 4.8 55.4 1.0 CB B:ALA54 5.0 48.9 1.0

Chlorine binding site 3 out of 4 in the The Structure of A Far-Red Fluorescent Protein, AQ143


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of A Far-Red Fluorescent Protein, AQ143 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:64.0 occ:1.00 NZ C:LYS135 3.1 74.5 1.0 O C:HOH424 3.2 49.0 1.0 N C:TYR55 3.9 54.0 1.0 CG C:LYS135 4.0 69.9 1.0 CA C:ALA54 4.0 59.0 1.0 CD C:LYS135 4.1 73.9 1.0 CE C:LYS135 4.2 76.6 1.0 CB C:LYS135 4.3 67.8 1.0 OH C:TYR210 4.4 72.0 1.0 C C:ALA54 4.5 59.0 1.0 CB C:ALA54 4.5 53.4 1.0 O C:PHE53 4.5 63.8 1.0 CB C:TYR55 4.8 59.0 1.0 N C:ALA54 4.9 56.4 1.0 CA C:TYR55 5.0 53.5 1.0 CA C:LYS135 5.0 64.7 1.0

Chlorine binding site 4 out of 4 in the The Structure of A Far-Red Fluorescent Protein, AQ143


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of A Far-Red Fluorescent Protein, AQ143 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:70.2 occ:1.00 O D:HOH421 3.5 63.9 1.0 NZ D:LYS135 3.6 68.1 1.0 N D:TYR55 3.7 50.2 1.0 CA D:ALA54 4.0 50.5 1.0 OH D:TYR210 4.2 58.5 1.0 O D:HOH427 4.4 63.8 1.0 C D:ALA54 4.4 49.7 1.0 CG D:LYS135 4.4 58.1 1.0 CB D:TYR55 4.4 53.9 1.0 CD D:LYS135 4.5 63.8 1.0 CE D:LYS135 4.7 67.0 1.0 CB D:ALA54 4.7 49.1 1.0 CA D:TYR55 4.7 52.3 1.0 O D:PHE53 4.7 51.4 1.0 CB D:LYS135 4.8 56.5 1.0 CE1 D:TYR210 4.8 55.3 1.0 CZ D:TYR210 5.0 61.3 1.0

T.M.Wannier, S.L.Mayo. The Structure of A Far-Red Fluorescent Protein, AQ143, Shows Evidence in Support of Reported Red-Shifting Chromophore Interactions. Protein Sci. V. 23 1148 2014.
ISSN: ISSN 0961-8368
PubMed: 24888769
DOI: 10.1002/PRO.2498