Chlorine in PDB 5hy5: Crystal Structure of A Tryptophan 6-Halogenase (Stth) From Streptomyces Toxytricini

The structure of Crystal Structure of A Tryptophan 6-Halogenase (Stth) From Streptomyces Toxytricini, PDB code: 5hy5 was solved by C.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.16 / 2.68
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	171.660, 101.570, 83.120, 90.00, 99.08, 90.00
R / Rfree (%)	19.6 / 23.3

The binding sites of Chlorine atom in the Crystal Structure of A Tryptophan 6-Halogenase (Stth) From Streptomyces Toxytricini (pdb code 5hy5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Tryptophan 6-Halogenase (Stth) From Streptomyces Toxytricini, PDB code: 5hy5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Tryptophan 6-Halogenase (Stth) From Streptomyces Toxytricini


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 A Tryptophan 6-Halogenase (Stth) From Streptomyces Toxytricini within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:25.8 occ:1.00 N A:GLY366 3.0 18.5 1.0 O A:HOH735 3.0 17.0 1.0 N A:THR365 3.1 19.1 1.0 C10 A:FAD601 3.3 22.3 1.0 N1 A:FAD601 3.3 22.7 1.0 C4X A:FAD601 3.4 23.4 1.0 CA A:PRO361 3.4 15.8 1.0 CA A:SER364 3.4 19.6 1.0 C2 A:FAD601 3.5 21.7 1.0 C4 A:FAD601 3.6 24.4 1.0 C A:SER364 3.6 19.4 1.0 N3 A:FAD601 3.6 28.2 1.0 CB A:PRO361 3.6 17.9 1.0 CA A:GLY366 3.7 17.2 1.0 C A:THR365 3.9 18.9 1.0 N10 A:FAD601 4.0 24.8 1.0 CA A:THR365 4.1 18.8 1.0 N A:SER364 4.1 18.7 1.0 CE1 A:PHE358 4.1 17.1 1.0 N5 A:FAD601 4.2 23.6 1.0 O2 A:FAD601 4.2 21.9 1.0 O4 A:FAD601 4.2 33.2 1.0 N A:PRO361 4.3 16.2 1.0 CG A:PRO361 4.4 17.7 1.0 OG1 A:THR365 4.4 18.2 1.0 O A:HOH727 4.4 14.7 1.0 C A:PRO361 4.4 17.7 1.0 CZ A:PHE358 4.5 18.2 1.0 O A:VAL359 4.6 16.0 1.0 CB A:SER364 4.6 20.4 1.0 C1' A:FAD601 4.6 32.5 1.0 O A:SER364 4.6 26.4 1.0 C9A A:FAD601 4.7 23.9 1.0 O A:GLU360 4.7 16.6 1.0 O A:PRO361 4.8 28.6 1.0 C5X A:FAD601 4.8 22.9 1.0 C A:GLU360 4.8 15.7 1.0 CB A:THR365 4.9 18.5 1.0 C A:GLY366 5.0 18.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Tryptophan 6-Halogenase (Stth) From Streptomyces Toxytricini


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 A Tryptophan 6-Halogenase (Stth) From Streptomyces Toxytricini within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:62.7 occ:1.00 N B:GLY366 3.0 18.9 1.0 N B:THR365 3.1 18.1 1.0 C10 B:FAD601 3.3 26.0 1.0 CA B:PRO361 3.4 18.2 1.0 CB B:PRO361 3.4 18.8 1.0 C4X B:FAD601 3.5 25.1 1.0 N1 B:FAD601 3.5 24.0 1.0 CA B:SER364 3.6 19.9 1.0 CA B:GLY366 3.6 19.7 1.0 C B:SER364 3.7 19.8 1.0 C2 B:FAD601 3.7 23.1 1.0 C4 B:FAD601 3.7 25.8 1.0 N3 B:FAD601 3.9 24.5 1.0 C B:THR365 3.9 18.0 1.0 N10 B:FAD601 4.0 27.9 1.0 CA B:THR365 4.1 18.0 1.0 O B:HOH727 4.1 17.9 1.0 CE1 B:PHE358 4.2 19.6 1.0 N B:SER364 4.2 34.1 1.0 N5 B:FAD601 4.2 25.5 1.0 OG1 B:THR365 4.2 17.9 1.0 N B:PRO361 4.2 20.2 1.0 O2 B:FAD601 4.4 21.9 1.0 O4 B:FAD601 4.4 37.7 1.0 C B:PRO361 4.4 16.9 1.0 O B:VAL359 4.5 18.2 1.0 C1' B:FAD601 4.6 27.2 1.0 C9A B:FAD601 4.6 25.8 1.0 CZ B:PHE358 4.7 20.8 1.0 CG B:PRO361 4.7 18.7 1.0 C5X B:FAD601 4.7 25.6 1.0 O B:SER364 4.7 19.1 1.0 CB B:SER364 4.8 25.1 1.0 C B:GLU360 4.8 17.6 1.0 CB B:THR365 4.8 18.9 1.0 O B:GLU360 4.8 14.4 1.0 O B:PRO361 4.8 19.0 1.0 CD B:PRO361 4.9 16.9 1.0

S.A.Shepherd, B.R.Menon, H.Fisk, A.W.Struck, C.Levy, D.Leys, J.Micklefield. A Structure-Guided Switch in the Regioselectivity of A Tryptophan Halogenase. Chembiochem V. 17 821 2016.
ISSN: ESSN 1439-7633
PubMed: 26840773
DOI: 10.1002/CBIC.201600051