Chlorine in PDB 7t8p: Crystal Structure of T151V CAO1

The structure of Crystal Structure of T151V CAO1, PDB code: 7t8p was solved by A.Daruwalla, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.08 / 1.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.507, 101.507, 450.646, 90, 90, 120
R / Rfree (%)	18.5 / 20.4

The structure of Crystal Structure of T151V CAO1 also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of T151V CAO1 (pdb code 7t8p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of T151V CAO1, PDB code: 7t8p:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of T151V CAO1


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 T151V CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:50.5 occ:1.00 N A:THR179 3.1 28.1 1.0 NH2 A:ARG112 3.2 51.8 1.0 O A:THR179 3.7 28.1 1.0 CG A:GLU178 3.8 31.3 0.5 O A:HOH794 3.8 27.0 1.0 CA A:GLU178 3.9 31.6 0.5 CA A:GLU178 3.9 30.0 0.5 CB A:THR179 3.9 27.0 1.0 CA A:THR179 4.0 28.7 1.0 C A:GLU178 4.0 29.8 0.5 C A:GLU178 4.0 28.9 0.5 NE A:ARG112 4.0 45.2 1.0 CZ A:ARG112 4.1 48.5 1.0 CD A:ARG115 4.2 32.0 1.0 CG A:ARG115 4.2 31.8 1.0 CB A:GLU178 4.2 34.0 0.5 C A:THR179 4.3 28.7 1.0 OG1 A:THR179 4.3 25.3 1.0 CB A:GLU178 4.4 30.9 0.5 O A:HOH1012 4.5 47.6 1.0 O A:HOH701 4.5 49.1 1.0 CB A:ARG115 4.5 28.3 1.0 CG A:GLU178 4.6 35.1 0.5 NE A:ARG115 4.7 32.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of T151V CAO1


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 T151V CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:52.2 occ:1.00 O B:HOH1054 3.0 53.1 1.0 NH2 B:ARG112 3.0 52.9 1.0 N B:THR179 3.3 28.0 1.0 CG B:GLU178 3.8 43.1 1.0 O B:THR179 3.8 26.7 1.0 O B:HOH774 3.8 25.2 1.0 CZ B:ARG112 3.9 51.3 1.0 NE B:ARG112 4.0 46.6 1.0 CA B:GLU178 4.0 32.3 1.0 CB B:THR179 4.1 27.1 1.0 CD B:ARG115 4.1 32.3 1.0 O B:HOH1087 4.1 65.5 1.0 CA B:THR179 4.1 27.2 1.0 C B:GLU178 4.1 28.6 1.0 CG B:ARG115 4.2 31.8 1.0 CB B:GLU178 4.4 36.7 1.0 OG1 B:THR179 4.4 27.3 1.0 C B:THR179 4.5 27.8 1.0 CB B:ARG115 4.5 30.3 1.0 NE B:ARG115 4.6 33.0 1.0 CD B:GLU178 5.0 50.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of T151V CAO1


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 T151V CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl602 b:56.0 occ:1.00 O C:HOH1028 2.8 52.1 1.0 NH2 C:ARG112 2.9 47.5 1.0 N C:THR179 3.3 30.4 1.0 CG C:GLU178 3.7 48.1 1.0 O C:HOH764 3.8 27.1 1.0 CZ C:ARG112 3.8 44.4 1.0 NE C:ARG112 3.9 41.8 1.0 O C:THR179 3.9 32.4 1.0 CA C:GLU178 3.9 34.9 1.0 CB C:THR179 4.1 33.0 1.0 C C:GLU178 4.1 30.4 1.0 CD C:ARG115 4.1 35.7 1.0 CA C:THR179 4.1 32.5 1.0 CG C:ARG115 4.2 34.5 1.0 CB C:GLU178 4.3 40.3 1.0 OG1 C:THR179 4.4 28.9 1.0 C C:THR179 4.5 31.3 1.0 NE C:ARG115 4.6 36.4 1.0 CB C:ARG115 4.6 31.4 1.0 O C:HOH920 4.7 49.0 1.0 CD C:GLU178 5.0 55.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of T151V CAO1


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 T151V CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl602 b:49.1 occ:1.00 N D:THR179 3.1 26.9 1.0 NH2 D:ARG112 3.2 46.2 1.0 O D:HOH1003 3.6 57.1 1.0 O D:THR179 3.7 30.2 1.0 O D:HOH790 3.7 23.8 1.0 CG D:GLU178 3.8 43.2 1.0 CB D:THR179 3.8 27.0 1.0 CA D:THR179 3.9 28.5 1.0 CA D:GLU178 4.0 30.6 1.0 C D:GLU178 4.0 27.2 1.0 NE D:ARG112 4.0 38.5 1.0 CD D:ARG115 4.0 30.2 1.0 CG D:ARG115 4.0 30.3 1.0 CZ D:ARG112 4.1 45.6 1.0 OG1 D:THR179 4.2 25.0 1.0 C D:THR179 4.3 29.0 1.0 CB D:ARG115 4.4 27.4 1.0 CB D:GLU178 4.4 34.0 1.0 NE D:ARG115 4.6 32.6 1.0 O D:HOH703 4.6 49.5 1.0

A.Daruwalla, P.D.Kiser. Crystal Structure of T151V CAO1 To Be Published.