Chlorine in PDB 3kya: Crystal Structure of Putative Phosphatase (NP_812416.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.77 A Resolution

The structure of Crystal Structure of Putative Phosphatase (NP_812416.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.77 A Resolution, PDB code: 3kya 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)	29.26 / 1.77
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	94.830, 124.623, 98.389, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.8

The structure of Crystal Structure of Putative Phosphatase (NP_812416.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.77 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

9 atoms

The binding sites of Chlorine atom in the Crystal Structure of Putative Phosphatase (NP_812416.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.77 A Resolution (pdb code 3kya). 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 Putative Phosphatase (NP_812416.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.77 A Resolution, PDB code: 3kya:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Putative Phosphatase (NP_812416.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.77 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 Putative Phosphatase (NP_812416.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.77 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl20 b:41.1 occ:1.00 NZ A:LYS69 3.2 9.6 1.0 N A:GLU108 3.3 16.4 1.0 CE A:LYS69 3.8 12.0 1.0 CA A:GLY107 3.9 15.6 1.0 O A:GLU108 3.9 18.1 1.0 CB A:ASN111 4.0 22.1 1.0 CD A:LYS69 4.0 11.8 1.0 C A:GLY107 4.0 15.9 1.0 CB A:GLU108 4.1 16.7 1.0 CA A:GLU108 4.1 17.1 1.0 ND2 A:ASN111 4.2 25.5 1.0 CG A:GLU108 4.4 16.9 1.0 C A:GLU108 4.5 18.1 1.0 CG A:ASN111 4.6 22.8 1.0 OE2 A:GLU108 5.0 16.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Putative Phosphatase (NP_812416.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.77 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 Putative Phosphatase (NP_812416.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.77 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl21 b:36.3 occ:0.50 OD1 A:ASN395 1.7 18.5 0.5 CG A:ASN395 2.5 15.1 0.5 O A:HOH931 2.5 24.8 1.0 ND2 A:ASN395 2.8 17.4 0.5 NE A:ARG420 3.0 17.7 1.0 OD1 A:ASN395 3.1 11.8 0.5 O A:HOH593 3.2 21.3 1.0 CG2 A:ILE351 3.2 14.1 1.0 NH2 A:ARG420 3.4 21.9 1.0 SG A:CYS397 3.6 15.3 1.0 CZ A:ARG420 3.6 19.2 1.0 ND2 A:ASN163 3.7 14.2 1.0 O A:HOH832 3.7 24.9 1.0 CB A:ASN395 3.9 13.4 0.5 CG A:ASN395 3.9 13.1 0.5 CB A:ASN395 4.0 14.1 0.5 CD A:ARG420 4.1 15.8 1.0 O A:HOH694 4.1 33.6 1.0 O A:HOH814 4.3 32.0 1.0 O A:HOH770 4.5 34.1 1.0 CB A:ILE351 4.7 14.6 1.0 O A:ASN395 4.7 13.5 1.0 CA A:ASN395 4.8 13.6 0.5 CA A:ASN395 4.9 13.9 0.5 CG A:ASN163 4.9 13.5 1.0 NH1 A:ARG420 4.9 20.1 1.0 CB A:ARG420 4.9 13.8 1.0

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