Chlorine in PDB 4z44: F454K Mutant of Tryptophan 7-Halogenase Prna

All present enzymatic activity of F454K Mutant of Tryptophan 7-Halogenase Prna:
1.14.19.9;

The structure of F454K Mutant of Tryptophan 7-Halogenase Prna, PDB code: 4z44 was solved by S.A.Shepherd, C.Karthikeyan, J.Latham, A.-W.Struck, M.L.Thompson, B.Menon, C.W.Levy, D.Leys, J.Micklefield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.84 / 2.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.100, 68.100, 275.380, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.7

The binding sites of Chlorine atom in the F454K Mutant of Tryptophan 7-Halogenase Prna (pdb code 4z44). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the F454K Mutant of Tryptophan 7-Halogenase Prna, PDB code: 4z44:

Chlorine binding site 1 out of 1 in the F454K Mutant of Tryptophan 7-Halogenase Prna


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of F454K Mutant of Tryptophan 7-Halogenase Prna within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:28.0 occ:1.00 N A:GLY349 3.0 20.7 1.0 O A:HOH841 3.1 22.1 1.0 N A:THR348 3.2 22.6 1.0 CA A:PRO344 3.3 19.6 1.0 C4X A:FAD601 3.4 34.5 1.0 C10 A:FAD601 3.5 37.3 1.0 C4 A:FAD601 3.5 29.9 1.0 CB A:PRO344 3.5 20.6 1.0 N1 A:FAD601 3.6 33.2 1.0 CA A:SER347 3.6 31.0 1.0 CA A:GLY349 3.6 21.1 1.0 N3 A:FAD601 3.6 33.6 1.0 C2 A:FAD601 3.6 37.6 1.0 C A:SER347 3.7 24.9 1.0 C A:THR348 4.0 27.4 1.0 N A:SER347 4.0 18.6 1.0 N5 A:FAD601 4.1 24.1 1.0 CA A:THR348 4.1 24.2 1.0 O4 A:FAD601 4.2 23.0 1.0 N10 A:FAD601 4.2 37.0 1.0 N A:PRO344 4.2 26.8 1.0 OG1 A:THR348 4.3 26.3 1.0 C A:PRO344 4.3 22.4 1.0 O A:HOH781 4.3 25.5 1.0 O2 A:FAD601 4.3 37.6 1.0 O A:HOH806 4.4 24.8 1.0 O A:LEU342 4.5 30.1 1.0 O A:PRO344 4.6 25.3 1.0 O A:HOH997 4.6 70.0 1.0 O A:GLU343 4.7 19.4 1.0 C5X A:FAD601 4.7 30.3 1.0 O A:SER347 4.7 22.1 1.0 C9A A:FAD601 4.7 33.7 1.0 C A:GLU343 4.8 30.4 1.0 CG A:PRO344 4.9 25.4 1.0 CB A:THR348 4.9 24.5 1.0 C1' A:FAD601 4.9 37.0 1.0 CB A:SER347 4.9 18.8 1.0 C A:GLY349 4.9 24.4 1.0

S.A.Shepherd, C.Karthikeyan, J.Latham, A.W.Struck, M.L.Thompson, B.R.K.Menon, M.Q.Styles, C.Levy, D.Leys, J.Micklefield. Extending the Biocatalytic Scope of Regiocomplementary Flavin-Dependent Halogenase Enzymes. Chem Sci V. 6 3454 2015.
ISSN: ISSN 2041-6520
PubMed: 29511510
DOI: 10.1039/C5SC00913H