Chlorine in PDB 5d79: Structure of Bbe-Like #28 From Arabidopsis Thaliana

The structure of Structure of Bbe-Like #28 From Arabidopsis Thaliana, PDB code: 5d79 was solved by B.Daniel, P.Kumar, K.Gruber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.89 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	127.024, 133.132, 138.999, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 24.3

The binding sites of Chlorine atom in the Structure of Bbe-Like #28 From Arabidopsis Thaliana (pdb code 5d79). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Bbe-Like #28 From Arabidopsis Thaliana, PDB code: 5d79:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Bbe-Like #28 From Arabidopsis Thaliana


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Bbe-Like #28 From Arabidopsis Thaliana within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:26.2 occ:1.00 C4X A:FAD603 3.1 22.6 1.0 O A:HOH710 3.1 19.4 1.0 C4 A:FAD603 3.2 25.3 1.0 C10 A:FAD603 3.3 16.5 1.0 NE2 A:GLN182 3.3 22.1 1.0 N5 A:FAD603 3.4 19.9 1.0 ND1 A:HIS174 3.5 27.5 1.0 CA A:GLY172 3.6 13.6 1.0 N A:HIS174 3.6 14.6 1.0 O4 A:FAD603 3.6 24.1 1.0 N A:ILE173 3.6 14.1 1.0 N3 A:FAD603 3.6 28.0 1.0 N1 A:FAD603 3.8 18.2 1.0 C5X A:FAD603 3.8 19.3 1.0 CB A:HIS174 3.8 21.0 1.0 C A:GLY172 3.9 15.1 1.0 C2 A:FAD603 3.9 23.9 1.0 N10 A:FAD603 4.0 17.2 1.0 CG2 A:VAL177 4.0 12.0 1.0 CG A:HIS174 4.1 27.0 1.0 C9A A:FAD603 4.1 22.5 1.0 CA A:HIS174 4.2 18.8 1.0 O A:HIS174 4.4 18.4 1.0 CD A:GLN182 4.5 21.9 1.0 CB A:VAL177 4.5 18.1 1.0 C6 A:FAD603 4.5 19.1 1.0 C A:ILE173 4.6 16.1 1.0 CE1 A:HIS174 4.6 24.2 1.0 N A:GLY172 4.6 14.6 1.0 CA A:ILE173 4.7 18.6 1.0 O2 A:FAD603 4.7 15.9 1.0 O2' A:FAD603 4.8 20.1 1.0 CG1 A:VAL177 4.8 16.8 1.0 O A:GLY172 4.8 17.2 1.0 C A:HIS174 4.8 18.6 1.0 O A:TYR188 4.9 24.1 1.0 C9 A:FAD603 5.0 23.4 1.0

Chlorine binding site 2 out of 2 in the Structure of Bbe-Like #28 From Arabidopsis Thaliana


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Bbe-Like #28 From Arabidopsis Thaliana within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:36.2 occ:1.00 C4X B:FAD603 3.1 26.7 1.0 O B:HOH705 3.2 28.9 1.0 C4 B:FAD603 3.2 36.0 1.0 C10 B:FAD603 3.3 18.0 1.0 N5 B:FAD603 3.4 24.9 1.0 N B:ILE173 3.5 14.7 1.0 NE2 B:GLN182 3.5 35.3 1.0 ND1 B:HIS174 3.5 48.4 1.0 N B:HIS174 3.6 21.7 1.0 N3 B:FAD603 3.6 36.2 1.0 CA B:GLY172 3.6 16.3 1.0 O4 B:FAD603 3.7 37.4 1.0 N1 B:FAD603 3.8 20.9 1.0 C5X B:FAD603 3.8 17.9 1.0 CB B:HIS174 3.9 33.9 1.0 C2 B:FAD603 3.9 25.6 1.0 C B:GLY172 3.9 16.4 1.0 N10 B:FAD603 3.9 14.7 1.0 CG2 B:VAL177 4.0 20.3 1.0 C9A B:FAD603 4.1 12.7 1.0 CG B:HIS174 4.1 47.7 1.0 CA B:HIS174 4.3 23.5 1.0 O B:HIS174 4.4 23.5 1.0 CA B:ILE173 4.5 19.3 1.0 C B:ILE173 4.5 20.9 1.0 CD B:GLN182 4.6 29.2 1.0 CE1 B:HIS174 4.6 48.4 1.0 CB B:VAL177 4.6 19.4 1.0 O2 B:FAD603 4.7 20.4 1.0 N B:GLY172 4.7 15.6 1.0 C6 B:FAD603 4.7 19.9 1.0 CB B:ILE173 4.9 28.6 1.0 C B:HIS174 4.9 23.9 1.0 O B:GLY172 4.9 20.4 1.0 CG1 B:VAL177 4.9 19.4 1.0 O B:TYR188 4.9 24.5 1.0 C9 B:FAD603 5.0 14.0 1.0

B.Daniel, S.Wallner, B.Steiner, G.Oberdorfer, P.Kumar, E.Van Der Graaff, T.Roitsch, C.W.Sensen, K.Gruber, P.Macheroux. Structure of A Berberine Bridge Enzyme-Like Enzyme with An Active Site Specific to the Plant Family Brassicaceae. Plos One V. 11 56892 2016.
ISSN: ESSN 1932-6203
PubMed: 27276217
DOI: 10.1371/JOURNAL.PONE.0156892