Chlorine in PDB 5bpg: Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore

The structure of Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore, PDB code: 5bpg was solved by J.M.M.Caaveiro, K.Tanaka, K.Tsumoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.19 / 2.14
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.300, 44.440, 114.950, 90.00, 92.82, 90.00
R / Rfree (%)	21 / 26.3

The binding sites of Chlorine atom in the Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore (pdb code 5bpg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore, PDB code: 5bpg:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore


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 the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:24.8 occ:1.00 O A:HOH316 3.0 20.6 1.0 N A:SER114 3.1 12.7 1.0 NE1 A:TRP116 3.1 11.7 1.0 CA A:TYR113 3.5 13.8 1.0 CD1 A:TYR113 3.7 13.8 1.0 O A:SER114 3.7 11.4 1.0 C A:TYR113 3.8 13.1 1.0 CB A:TYR113 3.8 13.3 1.0 CD1 A:TRP116 4.0 10.8 1.0 CA A:SER114 4.0 12.4 1.0 CE2 A:TRP116 4.1 11.9 1.0 CB A:SER114 4.1 13.1 1.0 CG A:TYR113 4.2 13.6 1.0 C A:SER114 4.3 11.5 1.0 OH A:TYR137 4.5 12.0 1.0 CZ2 A:TRP116 4.5 12.8 1.0 OG A:SER114 4.5 14.5 1.0 O A:HOH307 4.5 6.2 1.0 O A:TRP112 4.6 16.9 1.0 N A:TYR113 4.7 14.9 1.0 CE1 A:TYR113 4.7 14.5 1.0 O A:TYR113 5.0 12.8 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore


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 the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:26.5 occ:1.00 N B:LEU61 3.1 15.9 1.0 O B:HOH304 3.3 18.4 1.0 CA B:VAL60 3.6 16.9 1.0 CG1 B:VAL60 3.8 18.4 1.0 O B:HOH373 3.8 31.2 1.0 CB B:LEU61 3.8 15.1 1.0 CG B:LEU61 3.9 14.9 1.0 C B:VAL60 3.9 16.3 1.0 O B:HOH352 3.9 21.2 1.0 CA B:LEU61 4.1 15.2 1.0 CB B:VAL60 4.2 18.1 1.0 O B:ILE59 4.2 16.2 1.0 CE A:LYS20 4.4 17.9 1.0 CD A:LYS20 4.4 18.2 1.0 CD1 B:LEU61 4.4 15.1 1.0 CG A:LYS20 4.5 16.9 1.0 OG1 B:THR50 4.6 13.9 1.0 CG2 B:VAL60 4.7 18.9 1.0 N B:VAL60 4.8 16.7 1.0 N B:THR50 4.9 15.2 1.0 C B:ILE59 5.0 16.7 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore


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 the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:33.9 occ:1.00 N B:ASP17 3.1 18.6 1.0 O B:HOH358 3.2 14.6 1.0 NZ C:LYS64 3.3 25.4 1.0 CB B:ASP17 3.4 21.2 1.0 OD2 B:ASP17 3.4 23.3 1.0 CG B:ASP17 3.5 22.2 1.0 N B:PHE16 3.5 17.2 1.0 C B:GLY15 3.8 16.6 1.0 CA B:GLY15 3.8 17.0 1.0 CA B:ASP17 3.9 19.7 1.0 C B:PHE16 4.1 17.8 1.0 CA B:PHE16 4.2 17.6 1.0 OD1 B:ASP17 4.2 22.4 1.0 OG1 C:THR46 4.3 21.8 1.0 O3 B:GOL203 4.4 19.1 1.0 O B:GLY15 4.5 15.7 1.0 CB B:PHE16 4.5 18.6 1.0 C3 B:GOL203 4.7 19.1 1.0 O B:HOH341 4.8 20.6 1.0 N B:GLY15 4.8 16.5 1.0 CE C:LYS64 4.8 25.6 1.0 N B:VAL18 4.8 18.5 1.0 O C:HOH319 4.9 17.2 1.0 C B:ASP17 4.9 18.9 1.0 CG2 C:THR46 4.9 22.0 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore


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 the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:26.5 occ:1.00 O C:HOH329 2.8 17.0 1.0 NE1 C:TRP116 2.9 13.3 1.0 N C:SER114 3.0 15.3 1.0 CA C:TYR113 3.5 16.6 1.0 CD1 C:TYR113 3.7 16.9 1.0 C C:TYR113 3.7 15.9 1.0 CB C:TYR113 3.8 16.1 1.0 CD1 C:TRP116 3.8 12.6 1.0 O C:SER114 3.8 13.5 1.0 O C:HOH303 3.8 18.4 1.0 CE2 C:TRP116 3.9 13.6 1.0 CA C:SER114 4.0 14.6 1.0 CB C:SER114 4.1 15.0 1.0 CG C:TYR113 4.2 16.6 1.0 CZ2 C:TRP116 4.3 14.6 1.0 C C:SER114 4.3 13.6 1.0 OG C:SER114 4.4 16.0 1.0 OH C:TYR137 4.4 12.8 1.0 O C:TRP112 4.6 18.9 1.0 O C:HOH312 4.7 10.6 1.0 N C:TYR113 4.7 17.8 1.0 CE1 C:TYR113 4.8 17.9 1.0 O C:TYR113 4.9 16.3 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:26.6 occ:1.00 O C:HOH304 3.1 20.0 1.0 N C:LYS123 3.2 20.6 1.0 CB C:LYS123 3.8 23.1 1.0 CA C:TYR122 3.8 18.6 1.0 C C:TYR122 4.0 19.6 1.0 CD2 C:TYR122 4.1 19.6 1.0 NH1 C:ARG120 4.1 28.1 1.0 CA C:LYS123 4.1 21.7 1.0 CB C:TYR122 4.3 18.9 1.0 OH C:TYR156 4.3 21.1 1.0 NH2 C:ARG120 4.3 28.8 1.0 CG C:TYR122 4.5 18.6 1.0 O C:LYS123 4.6 21.9 1.0 CZ C:ARG120 4.7 26.7 1.0 O C:VAL121 4.8 18.1 1.0 C C:LYS123 4.9 21.9 1.0 CE2 C:TYR122 5.0 19.3 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:38.5 occ:1.00 N D:LEU61 3.3 16.3 1.0 O D:HOH303 3.3 18.2 1.0 O D:HOH360 3.7 26.2 1.0 CA D:VAL60 3.7 18.0 1.0 CG1 D:VAL60 3.8 19.5 1.0 C D:VAL60 4.0 17.0 1.0 CD C:LYS20 4.1 23.1 1.0 CG D:LEU61 4.1 15.4 1.0 CB D:LEU61 4.2 15.7 1.0 CB D:VAL60 4.2 19.2 1.0 O D:ILE59 4.3 18.4 1.0 CE C:LYS20 4.3 22.8 1.0 CA D:LEU61 4.3 15.7 1.0 CG2 D:VAL60 4.4 20.1 1.0 CG C:LYS20 4.5 21.1 1.0 NZ C:LYS20 4.6 24.7 1.0 CD1 D:LEU61 4.7 15.7 1.0 N D:VAL60 4.8 18.4 1.0 OG1 D:THR50 5.0 17.7 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Water-Soluble Frac Purified Starting From the Trans-Membrane Pore within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl202 b:37.8 occ:1.00 NZ D:LYS64 3.4 26.6 1.0 CE D:LYS64 3.6 25.4 1.0 CD C:LYS30 4.0 22.2 1.0 NZ C:LYS30 4.2 25.0 1.0 CE C:LYS30 4.7 22.7 1.0

K.Tanaka, J.M.Caaveiro, K.Tsumoto. Bidirectional Transformation of A Metamorphic Protein Between the Water-Soluble and Transmembrane Native States Biochemistry V. 54 6863 2015.
ISSN: ISSN 0006-2960
PubMed: 26544760
DOI: 10.1021/ACS.BIOCHEM.5B01112