Chlorine in PDB 9az7: Chloride Sites in Photoactive Yellow Protein

The structure of Chloride Sites in Photoactive Yellow Protein, PDB code: 9az7 was solved by F.Dyda, F.Schotte, P.Anfinrud, H.S.Cho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.88 / 2.00
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	66.83, 66.83, 40.96, 90, 90, 120
R / Rfree (%)	13.3 / 18.2

The binding sites of Chlorine atom in the Chloride Sites in Photoactive Yellow Protein (pdb code 9az7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Chloride Sites in Photoactive Yellow Protein, PDB code: 9az7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Chloride Sites in Photoactive Yellow Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Chloride Sites in Photoactive Yellow Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:38.3 occ:0.87 O A:HOH343 3.1 13.7 1.0 O A:HOH377 3.2 50.9 1.0 O A:HOH421 3.3 66.6 1.0 OG A:SER114 3.4 49.6 1.0 CA A:ALA16 3.9 17.6 1.0 CB A:SER114 3.9 44.2 1.0 NE2 A:GLN32 3.9 24.4 1.0 N A:SER114 4.0 32.2 1.0 CB A:ALA16 4.1 15.6 1.0 CB A:ALA112 4.2 15.1 1.0 N A:LEU113 4.3 22.6 1.0 CZ2 A:TRP119 4.4 17.9 1.0 CB A:LEU113 4.6 27.6 1.0 NE1 A:TRP119 4.6 14.8 1.0 CA A:SER114 4.6 42.3 1.0 N A:ALA16 4.7 13.5 1.0 O A:ALA16 4.7 23.3 1.0 O A:HOH350 4.8 42.1 1.0 C A:ALA16 4.8 19.4 1.0 CA A:LEU113 4.9 30.1 1.0 CE2 A:TRP119 4.9 13.0 1.0 C A:LEU113 4.9 28.5 1.0

Chlorine binding site 2 out of 3 in the Chloride Sites in Photoactive Yellow Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Chloride Sites in Photoactive Yellow Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:23.3 occ:0.78 O A:HOH433 2.6 46.4 1.0 N A:ASP53 3.1 12.0 1.0 CB A:ASP53 3.7 14.5 1.0 CA A:ARG52 3.8 12.5 1.0 C A:ARG52 3.9 12.0 1.0 CA A:ASP53 4.0 14.8 1.0 CB A:ARG52 4.1 10.5 1.0 CG A:ARG52 4.2 12.3 1.0 O A:ASP53 4.3 15.2 1.0 CB A:GLN56 4.4 16.5 1.0 O A:HOH430 4.4 35.4 1.0 CG1 A:VAL57 4.5 15.2 1.0 C A:ASP53 4.6 15.1 1.0 O A:HOH404 4.8 38.4 1.0 OE1 A:GLN56 4.8 24.6 1.0 O A:GLY51 4.8 13.1 1.0 CD A:GLN56 4.9 22.0 1.0 CG A:GLN56 5.0 22.2 1.0

Chlorine binding site 3 out of 3 in the Chloride Sites in Photoactive Yellow Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Chloride Sites in Photoactive Yellow Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:32.2 occ:0.73 O A:HOH392 2.4 24.1 1.0 NZ A:LYS123 3.1 13.3 1.0 CE A:LYS123 3.5 17.1 1.0 NZ A:LYS106 3.7 40.1 1.0 CE A:LYS106 3.8 29.7 1.0 O A:HOH398 4.0 26.9 1.0 CD1 A:PHE6 4.1 13.2 1.0 CE1 A:PHE6 4.5 14.6 1.0 CD A:LYS106 4.8 23.7 1.0 CD A:LYS123 4.9 10.7 1.0 O A:PHE6 5.0 11.5 1.0

F.Schotte, H.S.Cho, F.Dyda, P.A.Anfinrud. Watching A Signaling Protein Function: What Has Been Learned Over Four Decades of Time-Resolved Studies of Photoactive Yellow Protein To Be Published.