Chlorine in PDB 8cxl: Structure of NAPH3, A Vanadium-Dependent Haloperoxidase Homolog Catalyzing the Stereospecific Alpha-Hydroxyketone Rearrangement Reaction in Napyradiomycin Biosynthesis

The structure of Structure of NAPH3, A Vanadium-Dependent Haloperoxidase Homolog Catalyzing the Stereospecific Alpha-Hydroxyketone Rearrangement Reaction in Napyradiomycin Biosynthesis, PDB code: 8cxl was solved by P.Y.-T.Chen, J.R.Chekan, B.S.Moore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.64 / 1.98
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	155.447, 96.095, 72.28, 90, 90, 90
R / Rfree (%)	18.3 / 20.1

The structure of Structure of NAPH3, A Vanadium-Dependent Haloperoxidase Homolog Catalyzing the Stereospecific Alpha-Hydroxyketone Rearrangement Reaction in Napyradiomycin Biosynthesis also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Structure of NAPH3, A Vanadium-Dependent Haloperoxidase Homolog Catalyzing the Stereospecific Alpha-Hydroxyketone Rearrangement Reaction in Napyradiomycin Biosynthesis (pdb code 8cxl). 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 Structure of NAPH3, A Vanadium-Dependent Haloperoxidase Homolog Catalyzing the Stereospecific Alpha-Hydroxyketone Rearrangement Reaction in Napyradiomycin Biosynthesis, PDB code: 8cxl:

Chlorine binding site 1 out of 1 in the Structure of NAPH3, A Vanadium-Dependent Haloperoxidase Homolog Catalyzing the Stereospecific Alpha-Hydroxyketone Rearrangement Reaction in Napyradiomycin Biosynthesis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of NAPH3, A Vanadium-Dependent Haloperoxidase Homolog Catalyzing the Stereospecific Alpha-Hydroxyketone Rearrangement Reaction in Napyradiomycin Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:32.0 occ:1.00 NH1 B:ARG323 3.0 43.3 1.0 CZ B:ARG323 3.2 42.0 1.0 NE B:ARG323 3.4 34.3 1.0 NH2 B:ARG323 3.8 35.9 1.0 CD1 B:TYR174 3.8 24.2 1.0 CA B:TYR174 4.2 25.3 1.0 CG B:ARG323 4.2 26.3 1.0 CD B:ARG323 4.3 30.4 1.0 CB B:TYR174 4.4 25.5 1.0 CG B:TYR174 4.6 24.1 1.0 CE1 B:TYR174 4.7 21.1 1.0 N B:TYR174 4.8 26.2 1.0

P.Y.Chen, S.Adak, J.R.Chekan, D.K.Liscombe, A.Miyanaga, P.Bernhardt, S.Diethelm, E.N.Fielding, J.H.George, Z.D.Miles, L.A.M.Murray, T.S.Steele, J.M.Winter, J.P.Noel, B.S.Moore. Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis. Biochemistry V. 61 1844 2022.
ISSN: ISSN 0006-2960
PubMed: 35985031
DOI: 10.1021/ACS.BIOCHEM.2C00338