Chlorine in PDB 6n04: The X-Ray Crystal Structure of ABSH3, An Fad Dependent Reductase From the Abyssomicin Biosynthesis Pathway in Streptomyces

The structure of The X-Ray Crystal Structure of ABSH3, An Fad Dependent Reductase From the Abyssomicin Biosynthesis Pathway in Streptomyces, PDB code: 6n04 was solved by J.A.Clinger, X.Wang, W.Cai, M.D.Miller, S.G.Van Lanen, J.S.Thorson, G.N.Phillips Jr., Enzyme Discovery For Natural Product Biosynthesis(Natpro), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.20 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.316, 109.491, 143.637, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23.7

The binding sites of Chlorine atom in the The X-Ray Crystal Structure of ABSH3, An Fad Dependent Reductase From the Abyssomicin Biosynthesis Pathway in Streptomyces (pdb code 6n04). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The X-Ray Crystal Structure of ABSH3, An Fad Dependent Reductase From the Abyssomicin Biosynthesis Pathway in Streptomyces, PDB code: 6n04:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The X-Ray Crystal Structure of ABSH3, An Fad Dependent Reductase From the Abyssomicin Biosynthesis Pathway in Streptomyces


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The X-Ray Crystal Structure of ABSH3, An Fad Dependent Reductase From the Abyssomicin Biosynthesis Pathway in Streptomyces within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:47.9 occ:1.00 N A:ARG198 3.2 33.7 0.3 N A:ARG198 3.2 34.0 0.7 C A:ARG196 3.3 30.4 1.0 CA A:ARG196 3.4 28.8 1.0 CB A:ARG198 3.4 40.7 0.7 CB A:ARG198 3.4 38.8 0.3 N A:PRO197 3.5 30.3 1.0 CD A:PRO197 3.7 31.4 1.0 O A:ARG196 3.8 28.2 1.0 N A:ILE199 3.8 32.0 1.0 CG A:ARG198 3.8 45.3 0.3 CA A:ARG198 3.8 35.9 0.3 CA A:ARG198 3.8 37.3 0.7 CB A:ARG196 4.0 30.1 1.0 O A:HOH948 4.0 54.8 1.0 C A:PRO197 4.2 30.8 1.0 CG A:PRO197 4.3 33.8 1.0 C A:ARG198 4.4 33.2 0.3 C A:ARG198 4.4 33.4 0.7 CA A:PRO197 4.4 31.3 1.0 CG1 A:ILE199 4.4 35.3 1.0 CG A:ARG198 4.5 51.2 0.7 CD A:ARG196 4.5 32.0 1.0 N A:ARG196 4.7 30.1 1.0 CD A:ARG198 4.7 58.0 0.7 CB A:ILE199 4.7 32.9 1.0 O A:ARG195 4.8 33.9 1.0 CA A:ILE199 4.9 31.1 1.0 CG A:ARG196 4.9 29.2 1.0

Chlorine binding site 2 out of 2 in the The X-Ray Crystal Structure of ABSH3, An Fad Dependent Reductase From the Abyssomicin Biosynthesis Pathway in Streptomyces


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The X-Ray Crystal Structure of ABSH3, An Fad Dependent Reductase From the Abyssomicin Biosynthesis Pathway in Streptomyces within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:42.1 occ:1.00 C B:ARG196 3.3 30.6 1.0 O B:HOH998 3.4 50.0 1.0 CA B:ARG196 3.4 29.3 1.0 N B:ARG198 3.4 24.9 1.0 N B:PRO197 3.6 32.1 1.0 N B:ILE199 3.6 29.6 1.0 CD B:PRO197 3.7 32.7 1.0 O B:ARG196 3.7 27.0 1.0 CB B:ARG196 3.8 29.3 1.0 CB B:ARG198 3.8 34.0 1.0 CG1 B:ILE199 3.8 33.1 1.0 CA B:ARG198 4.0 30.0 1.0 CG B:ARG198 4.3 47.0 1.0 CD B:ARG196 4.3 31.8 1.0 C B:ARG198 4.3 27.5 1.0 C B:PRO197 4.4 31.7 1.0 CB B:ILE199 4.4 30.2 1.0 CA B:PRO197 4.6 32.1 1.0 CA B:ILE199 4.6 27.4 1.0 CG B:ARG196 4.7 29.3 1.0 N B:ARG196 4.7 30.1 1.0 O B:ARG195 4.8 32.7 1.0

J.A.Clinger, X.Wang, W.Cai, M.D.Miller, S.G.Van Lanen, J.S.Thorson, G.N.Phillips Jr.. Structure of Abyssomicin Biosynthesis Enzyme ABSH3 To Be Published.