Chlorine in PDB 8ahq: Vird/Holo-ACP5B of Streptomyces Virginiae Complex

The structure of Vird/Holo-ACP5B of Streptomyces Virginiae Complex, PDB code: 8ahq was solved by S.Collin, A.Gruez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.85 / 2.10
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	144.878, 144.878, 88.781, 90, 90, 120
R / Rfree (%)	18.3 / 23.8

The structure of Vird/Holo-ACP5B of Streptomyces Virginiae Complex also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Vird/Holo-ACP5B of Streptomyces Virginiae Complex (pdb code 8ahq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Vird/Holo-ACP5B of Streptomyces Virginiae Complex, PDB code: 8ahq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Vird/Holo-ACP5B of Streptomyces Virginiae Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Vird/Holo-ACP5B of Streptomyces Virginiae Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:36.8 occ:1.00 O A:HOH419 3.1 39.9 1.0 N A:MSE137 3.3 34.0 1.0 N A:ALA138 3.4 32.4 1.0 C A:PRO135 3.4 30.9 1.0 CA A:PRO135 3.5 30.7 1.0 N A:ALA136 3.6 32.6 1.0 CB A:MSE137 3.7 35.9 1.0 CA A:MSE137 3.8 35.3 1.0 O A:PRO135 3.8 31.0 1.0 C A:MSE137 4.0 33.5 1.0 CE A:MSE137 4.0 40.1 1.0 CB A:PRO135 4.1 29.9 1.0 CB A:ALA138 4.2 31.7 1.0 CD1 A:LEU223 4.2 48.2 1.0 C A:ALA136 4.3 34.4 1.0 CE2 A:TYR80 4.3 33.7 1.0 CA A:ALA138 4.4 31.1 1.0 OE2 A:GLU128 4.6 35.4 1.0 CA A:ALA136 4.6 33.2 1.0 CG A:MSE137 4.6 38.7 1.0 O A:VAL134 4.7 32.5 1.0 O A:HOH517 4.8 56.3 1.0 N A:PRO135 4.8 30.6 1.0 CD2 A:TYR80 4.9 34.3 1.0

Chlorine binding site 2 out of 2 in the Vird/Holo-ACP5B of Streptomyces Virginiae Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Vird/Holo-ACP5B of Streptomyces Virginiae Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:39.8 occ:1.00 N B:MSE137 3.2 30.9 1.0 C B:PRO135 3.3 29.3 1.0 N B:ALA138 3.3 28.9 1.0 CA B:PRO135 3.3 29.1 1.0 CB B:MSE137 3.5 33.5 1.0 N B:ALA136 3.6 30.2 1.0 CA B:MSE137 3.7 31.7 1.0 O B:PRO135 3.8 28.2 1.0 CB B:PRO135 3.9 28.9 1.0 C B:MSE137 4.0 29.7 1.0 CB B:ALA138 4.0 27.3 1.0 CE B:MSE137 4.1 38.0 1.0 C B:ALA136 4.3 32.1 1.0 CA B:ALA138 4.3 28.6 1.0 O B:HOH521 4.3 51.5 1.0 CE2 B:TYR80 4.3 32.7 1.0 CD2 B:LEU223 4.4 49.8 1.0 CG B:MSE137 4.5 36.0 1.0 CD1 B:LEU223 4.5 45.3 1.0 CA B:ALA136 4.6 31.6 1.0 O B:VAL134 4.6 31.2 1.0 N B:PRO135 4.7 28.9 1.0 OE2 B:GLU128 4.7 34.6 1.0 CG B:LEU223 4.9 47.3 1.0 CD2 B:TYR80 4.9 32.2 1.0

S.Collin, A.Gruez. Decrypting the Programming of Beta-Methylation in Virginiamycin M Biosynthesis Nat Commun 2023.
ISSN: ESSN 2041-1723