Chlorine in PDB 6cbm: X-Ray Structure of Neob From Streptomyces Fradiae in Complex with Plp and Neomycin (As the External Aldimine) at pH 9

All present enzymatic activity of X-Ray Structure of Neob From Streptomyces Fradiae in Complex with Plp and Neomycin (As the External Aldimine) at pH 9:
2.6.1.93; 2.6.1.95;

The structure of X-Ray Structure of Neob From Streptomyces Fradiae in Complex with Plp and Neomycin (As the External Aldimine) at pH 9, PDB code: 6cbm was solved by J.B.Thoden, G.T.Dow, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.65
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	57.742, 59.153, 70.313, 69.58, 77.62, 78.45
R / Rfree (%)	16.1 / 19.8

The binding sites of Chlorine atom in the X-Ray Structure of Neob From Streptomyces Fradiae in Complex with Plp and Neomycin (As the External Aldimine) at pH 9 (pdb code 6cbm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of Neob From Streptomyces Fradiae in Complex with Plp and Neomycin (As the External Aldimine) at pH 9, PDB code: 6cbm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of Neob From Streptomyces Fradiae in Complex with Plp and Neomycin (As the External Aldimine) at pH 9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Neob From Streptomyces Fradiae in Complex with Plp and Neomycin (As the External Aldimine) at pH 9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:23.2 occ:1.00 O B:HOH859 3.1 26.7 1.0 N B:LEU157 3.1 14.4 1.0 NE1 B:TRP186 3.4 10.1 1.0 O B:PHE155 3.5 10.6 1.0 O B:HOH717 3.7 11.1 1.0 CG B:LEU157 3.8 18.1 1.0 CD1 B:TRP186 3.8 10.3 1.0 O B:HOH608 3.8 36.4 1.0 CB B:LEU157 3.8 15.5 1.0 CA B:ASP156 3.9 10.6 1.0 O B:HOH913 3.9 39.7 1.0 C B:ASP156 4.0 11.4 1.0 NH1 B:ARG401 4.0 13.9 1.0 CA B:LEU157 4.0 14.3 1.0 CD1 B:LEU157 4.4 20.3 1.0 OD1 B:ASP156 4.4 13.7 1.0 C B:PHE155 4.5 10.8 1.0 N B:ASP156 4.7 10.8 1.0 O B:HOH846 4.7 28.0 1.0 CE2 B:TRP186 4.7 10.2 1.0 CG B:ASP156 4.8 13.1 1.0 N B:GLY158 4.9 14.5 1.0 CG B:GLN398 4.9 17.6 1.0 CB B:ASP156 4.9 11.4 1.0 CD2 B:LEU157 5.0 15.2 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Neob From Streptomyces Fradiae in Complex with Plp and Neomycin (As the External Aldimine) at pH 9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Neob From Streptomyces Fradiae in Complex with Plp and Neomycin (As the External Aldimine) at pH 9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:23.9 occ:1.00 O B:HOH952 3.1 31.3 1.0 NE B:ARG387 3.2 12.2 1.0 O B:HOH772 3.2 21.1 1.0 CA B:ALA384 3.6 14.6 1.0 O B:HOH860 3.6 27.0 1.0 CD B:ARG387 3.8 12.0 1.0 CB B:ALA384 4.0 13.8 1.0 N B:ALA384 4.0 13.4 1.0 CZ B:ARG387 4.2 13.0 1.0 NH1 B:ARG387 4.2 16.7 1.0 O B:ALA383 4.3 13.3 1.0 C B:ALA383 4.3 14.4 1.0 CB B:ARG387 4.3 10.1 1.0 O B:HOH957 4.4 38.7 1.0 O B:ALA321 4.6 15.4 1.0 CG B:GLU323 4.6 25.0 1.0 O B:HOH994 4.6 40.9 1.0 CG B:ARG387 4.7 11.5 1.0 OE2 B:GLU323 4.7 34.2 1.0 C B:ALA384 4.8 13.7 1.0 N B:GLU323 4.8 16.6 1.0 O B:HOH882 5.0 14.1 1.0

G.T.Dow, J.B.Thoden, H.M.Holden. The Three-Dimensional Structure of Neob: An Aminotransferase Involved in the Biosynthesis of Neomycin. Protein Sci. V. 27 945 2018.
ISSN: ESSN 1469-896X
PubMed: 29516565
DOI: 10.1002/PRO.3400