Chlorine in PDB 8s47: Cdaa-D07 Complex

All present enzymatic activity of Cdaa-D07 Complex:
2.7.7.85;

The structure of Cdaa-D07 Complex, PDB code: 8s47 was solved by P.Neumann, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.04 / 2.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.22, 65.07, 130.33, 90, 90, 90
R / Rfree (%)	20.6 / 24

The binding sites of Chlorine atom in the Cdaa-D07 Complex (pdb code 8s47). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cdaa-D07 Complex, PDB code: 8s47:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cdaa-D07 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cdaa-D07 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:65.2 occ:0.94 O A:HOH321 2.9 61.0 0.8 N A:GLU123 3.3 58.4 1.0 NH1 A:ARG103 3.5 64.1 1.0 OE1 A:GLU124 3.5 96.7 1.0 CA A:SER122 3.6 60.8 1.0 CG A:GLU123 3.7 75.9 1.0 CD A:ARG103 4.0 55.0 1.0 C A:SER122 4.0 61.2 1.0 OG A:SER122 4.0 58.8 1.0 CE1 A:HIS104 4.1 59.6 1.0 CB A:SER122 4.2 52.5 1.0 O A:VAL121 4.2 49.2 1.0 CB A:GLU123 4.4 72.1 1.0 CA A:GLU123 4.4 66.2 1.0 ND1 A:HIS104 4.4 55.7 1.0 CG A:ARG103 4.4 55.8 1.0 CB A:ARG103 4.5 56.0 1.0 OE2 A:GLU123 4.5 87.7 1.0 CZ A:ARG103 4.5 67.5 1.0 CD A:GLU123 4.6 84.3 1.0 N A:GLU124 4.7 71.0 1.0 N A:SER122 4.7 54.8 1.0 NE A:ARG103 4.7 55.2 1.0 CD A:GLU124 4.8 94.2 1.0 C A:VAL121 4.9 57.6 1.0

Chlorine binding site 2 out of 2 in the Cdaa-D07 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cdaa-D07 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:69.3 occ:1.00 N B:GLU123 3.3 56.6 1.0 CG B:GLU123 3.5 72.6 1.0 CE1 B:HIS104 3.7 56.0 1.0 CA B:SER122 3.7 60.2 1.0 NH1 B:ARG103 3.8 68.7 1.0 OG B:SER122 3.9 58.7 1.0 C B:SER122 4.0 59.6 1.0 ND1 B:HIS104 4.2 57.3 1.0 CB B:SER122 4.2 57.1 1.0 CB B:GLU123 4.2 64.2 1.0 CA B:GLU123 4.2 62.0 1.0 OE2 B:GLU123 4.3 81.6 1.0 CD B:GLU123 4.4 78.2 1.0 CA B:GLY101 4.4 71.8 1.0 N B:GLU124 4.4 69.5 1.0 CD B:ARG103 4.5 53.6 1.0 O B:VAL121 4.5 54.9 1.0 N B:GLY101 4.5 78.2 1.0 CG B:GLU124 4.6 76.3 1.0 C B:GLU123 4.8 69.5 1.0 NE2 B:HIS104 4.8 55.2 1.0 CZ B:ARG103 4.8 57.3 1.0 CB B:ARG103 4.9 50.4 1.0 CG B:ARG103 4.9 69.7 1.0 N B:SER122 4.9 55.7 1.0

P.Neumann, R.Ficner. Cdaa-D07 Complex To Be Published.