Chlorine in PDB 9hjv: Crystal Structure of Flavin-Dependent Monooxygenase Tet(X4) in Complex with Prochlorperazine

The structure of Crystal Structure of Flavin-Dependent Monooxygenase Tet(X4) in Complex with Prochlorperazine, PDB code: 9hjv was solved by M.J.Beech, H.G.Smith, M.D.Allen, A.J.M.Farley, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.53 / 2.20
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	97.593, 97.593, 168.285, 90, 90, 120
R / Rfree (%)	17.1 / 22.2

The binding sites of Chlorine atom in the Crystal Structure of Flavin-Dependent Monooxygenase Tet(X4) in Complex with Prochlorperazine (pdb code 9hjv). 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 Crystal Structure of Flavin-Dependent Monooxygenase Tet(X4) in Complex with Prochlorperazine, PDB code: 9hjv:

Chlorine binding site 1 out of 1 in the Crystal Structure of Flavin-Dependent Monooxygenase Tet(X4) in Complex with Prochlorperazine


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 Flavin-Dependent Monooxygenase Tet(X4) in Complex with Prochlorperazine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:56.2 occ:0.77 CL A:P77402 0.0 56.2 0.8 C1 A:P77402 1.8 37.6 0.8 C6 A:P77402 2.7 42.5 0.8 C2 A:P77402 2.7 39.9 0.8 CD A:ARG213 3.2 42.8 1.0 CG A:ARG213 3.4 35.6 1.0 O A:ALA225 3.7 29.4 1.0 CB A:ARG213 3.9 28.7 1.0 C3 A:P77402 3.9 39.4 0.8 C5 A:P77402 4.0 38.5 0.8 C A:ALA225 4.1 27.2 1.0 O A:HOH699 4.2 27.3 1.0 N A:ALA225 4.3 23.4 1.0 C4 A:P77402 4.4 40.5 0.8 C16 A:P77402 4.4 56.9 0.8 CB A:PHE224 4.5 30.1 1.0 NH1 A:ARG213 4.5 52.9 1.0 N A:ASN226 4.5 27.2 1.0 CB A:ASN226 4.5 22.4 1.0 NE A:ARG213 4.5 51.9 1.0 CA A:ALA225 4.8 25.5 1.0 CA A:ASN226 4.8 26.4 1.0 C17 A:P77402 4.8 54.8 0.8 CA A:ARG213 5.0 31.9 1.0 O A:LEU214 5.0 30.2 1.0

M.J.Beech, E.C.Toma, H.G.Smith, M.M.Trush, J.H.J.Ang, M.Y.Wong, C.H.J.Wong, H.S.Ali, Z.Butt, V.Goel, F.Duarte, A.J.M.Farley, T.R.Walsh, C.J.Schofield. Binding Assays Enable Discovery of Tet(X) Inhibitors That Combat Tetracycline Destructase Resistance. Chem Sci 2025.
ISSN: ISSN 2041-6520
PubMed: 40342919
DOI: 10.1039/D5SC00964B