Chlorine in PDB 8fov: Abeh (Tryptophan-5-Halogenase) Bound to Fad and Cl

The structure of Abeh (Tryptophan-5-Halogenase) Bound to Fad and Cl, PDB code: 8fov was solved by M.Ashaduzzaman, J.J.Bellizzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.14 / 1.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.71, 112.29, 173.59, 90, 90, 90
R / Rfree (%)	16.6 / 19.4

The binding sites of Chlorine atom in the Abeh (Tryptophan-5-Halogenase) Bound to Fad and Cl (pdb code 8fov). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Abeh (Tryptophan-5-Halogenase) Bound to Fad and Cl, PDB code: 8fov:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Abeh (Tryptophan-5-Halogenase) Bound to Fad and Cl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Abeh (Tryptophan-5-Halogenase) Bound to Fad and Cl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:27.4 occ:1.00 N A:GLY358 3.0 16.6 1.0 N A:THR357 3.1 16.8 1.0 C10 A:FAD601 3.2 24.4 1.0 CA A:PRO353 3.3 17.8 1.0 O A:HOH756 3.3 25.6 1.0 N1 A:FAD601 3.3 24.4 1.0 CB A:PRO353 3.3 25.0 1.0 C4X A:FAD601 3.4 26.2 1.0 C2 A:FAD601 3.5 25.7 1.0 N3 A:FAD601 3.7 23.5 1.0 C4 A:FAD601 3.7 27.6 1.0 CA A:SER356 3.7 18.7 1.0 N10 A:FAD601 3.8 24.6 1.0 C A:SER356 3.8 16.2 1.0 CA A:GLY358 3.8 17.6 1.0 C A:THR357 3.9 16.8 1.0 CE1 A:PHE350 4.0 28.6 1.0 CA A:THR357 4.0 16.7 1.0 OG1 A:THR357 4.1 20.4 1.0 N5 A:FAD601 4.1 24.3 1.0 N A:PRO353 4.2 19.6 1.0 O2 A:FAD601 4.2 21.2 1.0 N A:SER356 4.2 18.8 1.0 C A:PRO353 4.3 18.1 1.0 O A:HOH819 4.4 20.8 1.0 O A:VAL351 4.4 20.9 1.0 C1' A:FAD601 4.4 22.6 1.0 C9A A:FAD601 4.4 23.6 1.0 O4 A:FAD601 4.4 27.7 1.0 CZ A:PHE350 4.5 26.7 1.0 C5X A:FAD601 4.5 26.7 1.0 O A:PRO353 4.5 21.4 1.0 O A:GLU352 4.6 20.4 1.0 C A:GLU352 4.6 20.1 1.0 CB A:THR357 4.7 19.0 1.0 CG A:PRO353 4.7 20.3 1.0 O A:HOH707 4.8 36.1 1.0 O A:SER356 4.9 21.5 1.0 CD A:PRO353 4.9 20.5 1.0 CD1 A:PHE350 5.0 20.9 1.0

Chlorine binding site 2 out of 2 in the Abeh (Tryptophan-5-Halogenase) Bound to Fad and Cl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Abeh (Tryptophan-5-Halogenase) Bound to Fad and Cl within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:27.3 occ:1.00 N B:THR357 3.1 16.0 1.0 N B:GLY358 3.1 18.6 1.0 CA B:PRO353 3.3 23.3 1.0 C10 B:FAD601 3.4 21.9 1.0 O B:HOH752 3.5 28.0 1.0 N1 B:FAD601 3.6 18.7 1.0 C4X B:FAD601 3.7 21.2 1.0 CE1 B:PHE350 3.7 24.8 1.0 CA B:SER356 3.7 18.1 1.0 N10 B:FAD601 3.8 20.4 1.0 OG1 B:THR357 3.9 19.6 1.0 C B:SER356 3.9 21.1 1.0 C2 B:FAD601 3.9 24.3 1.0 CA B:GLY358 3.9 18.8 1.0 C B:THR357 3.9 18.6 1.0 O B:GLU352 3.9 29.7 1.0 CA B:THR357 4.0 17.6 1.0 CB B:PRO353 4.0 33.9 1.0 C4 B:FAD601 4.1 22.3 1.0 O B:HOH704 4.1 23.0 1.0 C B:PRO353 4.1 21.3 1.0 N3 B:FAD601 4.1 17.6 1.0 N B:PRO353 4.1 22.9 1.0 N B:SER356 4.2 17.9 1.0 O B:VAL351 4.2 36.1 1.0 O B:PRO353 4.2 23.1 1.0 N5 B:FAD601 4.3 21.4 1.0 CZ B:PHE350 4.3 23.4 1.0 C B:GLU352 4.4 24.6 1.0 C1' B:FAD601 4.4 15.0 1.0 C9A B:FAD601 4.4 22.8 1.0 C5X B:FAD601 4.6 22.8 1.0 CB B:THR357 4.6 17.2 1.0 O2 B:FAD601 4.6 20.6 1.0 CD1 B:PHE350 4.7 23.0 1.0 CG B:PRO353 4.8 33.9 1.0 O4 B:FAD601 4.8 30.1 1.0

M.Ashaduzzaman, K.Lingkon, A.De Silva, J.Bellizzi Iii. Crystallographic and Thermodynamic Evidence of Negative Cooperativity of Flavin and Tryptophan Binding in the Flavin-Dependent Halogenases Abeh and Borh Biorxiv 2023.
ISSN: ISSN 2692-8205
DOI: 10.1101/2023.08.22.554356