Chlorine in PDB 4y7d: Alpha/Beta Hydrolase Fold Protein From Nakamurella Multipartita

The structure of Alpha/Beta Hydrolase Fold Protein From Nakamurella Multipartita, PDB code: 4y7d was solved by M.E.Cuff, J.Osipiuk, J.Holowicki, M.Endres, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.10 / 1.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.404, 75.394, 126.536, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 18.7

The structure of Alpha/Beta Hydrolase Fold Protein From Nakamurella Multipartita also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Alpha/Beta Hydrolase Fold Protein From Nakamurella Multipartita (pdb code 4y7d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Alpha/Beta Hydrolase Fold Protein From Nakamurella Multipartita, PDB code: 4y7d:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Alpha/Beta Hydrolase Fold Protein From Nakamurella Multipartita


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Alpha/Beta Hydrolase Fold Protein From Nakamurella Multipartita within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:21.9 occ:1.00 N A:THR274 3.1 20.6 1.0 OG1 A:THR274 3.2 21.7 1.0 NE A:ARG186 3.2 24.8 1.0 CA A:ALA277 3.6 19.2 1.0 CG2 A:VAL280 3.7 22.1 1.0 CA A:GLY273 3.7 19.9 1.0 CD A:ARG186 3.8 24.9 1.0 CB A:ALA277 3.8 19.7 1.0 CG2 A:THR274 3.8 23.7 1.0 CB A:THR274 3.8 21.5 1.0 N A:ALA277 3.9 19.7 1.0 C A:GLY273 3.9 20.6 1.0 CB A:HIS281 4.0 20.7 1.0 CA A:THR274 4.0 20.8 1.0 CA A:HIS281 4.1 21.4 1.0 CZ A:ARG186 4.1 25.8 1.0 N A:HIS281 4.2 21.1 1.0 NH1 A:ARG186 4.2 26.2 1.0 CG A:ARG186 4.3 25.4 1.0 O A:ALA272 4.3 24.8 1.0 CD2 A:HIS281 4.4 22.4 1.0 C A:VAL280 4.5 21.6 1.0 CG A:HIS281 4.6 22.3 1.0 C A:LEU276 4.6 19.4 1.0 O A:THR274 4.6 19.1 1.0 C A:THR274 4.7 20.2 1.0 O A:VAL280 4.8 22.2 1.0 C A:ALA277 4.9 18.9 1.0 N A:GLY273 4.9 21.4 1.0 O A:LEU276 5.0 19.3 1.0

Chlorine binding site 2 out of 2 in the Alpha/Beta Hydrolase Fold Protein From Nakamurella Multipartita


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Alpha/Beta Hydrolase Fold Protein From Nakamurella Multipartita within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:20.9 occ:1.00 NE B:ARG186 3.1 21.2 1.0 OG1 B:THR274 3.2 20.1 1.0 N B:THR274 3.2 20.9 1.0 CA B:ALA277 3.6 16.9 1.0 CD B:ARG186 3.7 20.9 1.0 CG2 B:VAL280 3.7 17.9 1.0 CA B:GLY273 3.8 21.0 1.0 CG2 B:THR274 3.8 21.2 1.0 CB B:THR274 3.8 20.6 1.0 CB B:ALA277 3.9 16.8 1.0 CB B:HIS281 4.0 20.5 1.0 N B:ALA277 4.0 17.4 1.0 C B:GLY273 4.0 21.4 1.0 CA B:THR274 4.1 20.4 1.0 CA B:HIS281 4.1 20.0 1.0 CZ B:ARG186 4.2 24.1 1.0 N B:HIS281 4.2 20.1 1.0 CG B:ARG186 4.3 20.2 1.0 CD2 B:HIS281 4.3 24.6 1.0 NH1 B:ARG186 4.3 25.4 1.0 O B:ALA272 4.5 22.8 1.0 CG B:HIS281 4.5 22.5 1.0 O B:THR274 4.6 17.8 1.0 C B:VAL280 4.6 19.4 1.0 C B:LEU276 4.6 18.5 1.0 C B:THR274 4.7 18.6 1.0 C B:ALA277 4.8 17.4 1.0 O B:VAL280 4.9 19.7 1.0 N B:GLY273 4.9 20.5 1.0

M.E.Cuff, J.Osipiuk, J.Holowicki, M.Endres, A.Joachimiak. Alpha/Beta Hydrolase Fold Protein From Nakamurella Multipartita. To Be Published.