Chlorine in PDB 3b5q: Crystal Structure of A Putative Sulfatase (NP_810509.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.40 A Resolution

The structure of Crystal Structure of A Putative Sulfatase (NP_810509.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.40 A Resolution, PDB code: 3b5q was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.91 / 2.40
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	106.275, 106.275, 111.680, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 20.6

The structure of Crystal Structure of A Putative Sulfatase (NP_810509.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.40 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Putative Sulfatase (NP_810509.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.40 A Resolution (pdb code 3b5q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Putative Sulfatase (NP_810509.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.40 A Resolution, PDB code: 3b5q:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Putative Sulfatase (NP_810509.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.40 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Putative Sulfatase (NP_810509.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:35.2 occ:1.00 N A:TYR379 3.3 38.4 1.0 OG A:SER377 3.3 31.6 1.0 N A:TYR381 3.3 38.0 1.0 N A:VAL382 3.3 38.6 1.0 N A:GLU380 3.5 42.0 1.0 N A:GLU378 3.5 27.4 1.0 O A:VAL382 3.5 33.7 1.0 CB A:GLU378 3.8 30.9 1.0 CB A:TYR381 3.8 36.9 1.0 CA A:TYR381 3.9 33.2 1.0 CA A:GLU378 4.0 28.8 1.0 C A:TYR379 4.0 40.6 1.0 CA A:TYR379 4.1 42.2 1.0 C A:GLU378 4.1 29.4 1.0 C A:TYR381 4.1 35.4 1.0 CA A:GLU380 4.1 42.9 1.0 C A:GLU380 4.2 39.0 1.0 CD2 A:TYR381 4.2 69.7 1.0 CA A:VAL382 4.2 31.4 1.0 C A:VAL382 4.3 33.5 1.0 CE1 A:HIS297 4.4 35.1 1.0 CG A:TYR381 4.5 50.7 1.0 CB A:SER377 4.6 24.7 1.0 CB A:TYR379 4.6 37.6 1.0 C A:SER377 4.6 23.7 1.0 CB A:VAL382 4.6 35.8 1.0 O A:SER227 4.7 32.1 1.0 CA A:SER377 4.8 32.3 1.0 O A:TYR379 4.9 42.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Putative Sulfatase (NP_810509.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.40 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Putative Sulfatase (NP_810509.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:29.7 occ:1.00 N B:TYR379 3.3 33.5 1.0 N B:TYR381 3.4 35.8 1.0 N B:VAL382 3.4 35.8 1.0 N B:GLU380 3.6 32.9 1.0 N B:GLU378 3.6 26.1 1.0 O B:VAL382 3.7 41.4 1.0 OG B:SER377 3.7 23.3 1.0 CB B:TYR381 3.8 32.5 1.0 CB B:GLU378 3.9 30.5 1.0 CA B:TYR381 4.0 34.5 1.0 C B:TYR379 4.0 31.1 1.0 CD2 B:TYR381 4.0 40.1 1.0 CA B:GLU378 4.1 30.0 1.0 CA B:TYR379 4.1 31.0 0.5 CA B:TYR379 4.1 30.1 0.5 C B:GLU378 4.1 26.6 1.0 C B:TYR381 4.2 37.4 1.0 C B:GLU380 4.3 36.7 1.0 O B:HOH670 4.3 33.3 1.0 CA B:GLU380 4.3 33.6 1.0 CA B:VAL382 4.3 29.7 1.0 C B:VAL382 4.4 27.3 1.0 CG B:TYR381 4.4 45.6 1.0 CE1 B:HIS297 4.5 31.0 1.0 CB B:TYR379 4.5 25.9 0.5 CB B:TYR379 4.6 23.9 0.5 NH2 B:ARG475 4.6 22.0 0.5 CB B:VAL382 4.6 28.1 1.0 C B:SER377 4.7 21.4 1.0 O B:TYR379 4.7 34.5 1.0 O B:SER227 4.8 34.7 1.0 CB B:SER377 4.9 25.2 1.0 CA B:SER377 4.9 21.1 1.0 CG B:GLU378 5.0 31.6 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.