Chlorine in PDB 5yw3: X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant

The structure of X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant, PDB code: 5yw3 was solved by C.Sakai, T.Yamaguchi, T.Kohzuma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.72 / 1.19
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	34.699, 51.227, 57.723, 88.88, 77.16, 86.58
R / Rfree (%)	12.7 / 17.3

The structure of X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant also contains other interesting chemical elements:

Copper

(Cu)

4 atoms

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant (pdb code 5yw3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant, PDB code: 5yw3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:30.6 occ:0.50 CL B:CL202 0.0 30.6 0.5 CL B:CL202 2.3 37.0 0.5 O B:HOH462 2.6 19.0 1.0 O B:HOH323 3.1 24.9 1.0 CA B:GLY14 3.7 12.5 1.0 O B:ASP13 4.0 13.8 1.0 N B:GLY14 4.2 10.9 1.0 C B:ASP13 4.3 11.5 1.0 O B:HOH396 4.5 12.2 1.0 O B:HOH454 4.6 24.9 1.0 O B:HOH321 4.8 24.6 1.0 C B:GLY14 4.9 8.1 1.0

Chlorine binding site 2 out of 4 in the X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:37.0 occ:0.50 CL B:CL202 0.0 37.0 0.5 CL B:CL202 2.3 30.6 0.5 O B:HOH396 3.1 12.2 1.0 O B:ASP13 3.3 13.8 1.0 CA B:GLY14 3.7 12.5 1.0 C B:ASP13 4.1 11.5 1.0 O B:HOH462 4.3 19.0 1.0 N B:GLY14 4.4 10.9 1.0 O B:HOH323 4.6 24.9 1.0 O B:HOH349 4.7 28.0 1.0 C B:GLY14 4.9 8.1 1.0 O B:HOH466 4.9 17.1 0.6 N B:ALA15 4.9 8.6 1.0

Chlorine binding site 3 out of 4 in the X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:13.7 occ:1.00 O D:HOH385 3.1 14.5 1.0 N D:LYS24 3.2 6.0 1.0 NZ C:LYS57 3.3 12.9 1.0 O D:HOH343 3.3 15.0 1.0 O D:HOH490 3.5 7.8 0.2 O C:HOH435 3.6 15.4 1.0 CE C:LYS57 3.6 10.7 1.0 CA D:LEU23 3.7 5.9 1.0 O D:HOH484 3.9 24.0 1.0 C D:LEU23 4.0 5.8 1.0 CG2 C:THR79 4.0 9.1 1.0 O D:SER22 4.1 7.9 1.0 CD1 D:LEU23 4.2 10.2 1.0 CB D:LYS24 4.2 8.2 1.0 CA D:LYS24 4.3 7.0 1.0 N D:LEU23 4.4 5.7 1.0 CD2 D:LEU122 4.5 9.4 1.0 CB C:THR79 4.5 7.8 1.0 O D:LYS24 4.6 8.6 1.0 C D:SER22 4.6 6.2 1.0 O D:HOH490 4.7 17.2 0.5 CB D:LEU23 4.8 7.3 1.0 O D:HOH381 4.8 9.6 1.0 CG D:LEU23 4.9 8.1 1.0 OG1 C:THR79 4.9 8.3 1.0 C D:LYS24 4.9 7.2 1.0 O C:HOH358 5.0 12.1 1.0

Chlorine binding site 4 out of 4 in the X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl202 b:15.2 occ:1.00 O C:HOH453 3.1 28.4 1.0 O D:HOH348 3.2 21.8 1.0 O D:HOH319 3.3 16.5 1.0 O C:HOH382 3.3 9.2 1.0 N D:GLU4 3.3 6.5 1.0 O D:HOH492 3.4 17.4 1.0 CA D:PHE3 3.6 6.3 1.0 CB D:PHE3 4.0 6.7 1.0 CD2 D:PHE3 4.0 7.2 1.0 C D:PHE3 4.0 6.3 1.0 CD2 C:TYR82 4.2 6.3 1.0 NZ C:LYS77 4.2 9.4 1.0 O D:HOH420 4.2 22.8 1.0 O D:GLU4 4.3 7.8 1.0 O D:HOH422 4.4 19.2 1.0 CG D:PHE3 4.4 6.5 1.0 CA D:GLU4 4.4 6.6 1.0 O C:HOH405 4.4 10.6 0.5 O D:ASP2 4.4 10.4 1.0 CE2 C:TYR82 4.5 7.1 1.0 CB D:GLU4 4.5 6.9 1.0 O D:HOH465 4.5 13.4 1.0 N D:PHE3 4.8 6.3 1.0 CG D:GLU4 4.8 7.3 1.0 C D:GLU4 4.8 6.7 1.0 O C:HOH405 4.9 14.6 0.5 CE2 D:PHE3 4.9 9.5 1.0

T.Yamaguchi, C.Sakai, T.Kohzuma. X-Ray Crystal Structure of Pseudoazurin THR36LYS Variant To Be Published.