Chlorine in PDB 5u1z: X-Ray Structure of the Wlarg Aminotransferase, Apo Form, From Campylobacter Jejune

The structure of X-Ray Structure of the Wlarg Aminotransferase, Apo Form, From Campylobacter Jejune, PDB code: 5u1z was solved by H.M.Holden, J.B.Thoden, G.T.Dow, M.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.97 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	107.726, 56.837, 124.797, 90.00, 90.04, 90.00
R / Rfree (%)	14.8 / 18.8

The structure of X-Ray Structure of the Wlarg Aminotransferase, Apo Form, From Campylobacter Jejune also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the Wlarg Aminotransferase, Apo Form, From Campylobacter Jejune (pdb code 5u1z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of the Wlarg Aminotransferase, Apo Form, From Campylobacter Jejune, PDB code: 5u1z:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Structure of the Wlarg Aminotransferase, Apo Form, From Campylobacter Jejune


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 the Wlarg Aminotransferase, Apo Form, From Campylobacter Jejune within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:15.4 occ:1.00 OG A:SER179 3.0 6.9 1.0 N A:GLY58 3.1 6.7 1.0 O A:HOH621 3.1 8.8 1.0 CB A:ASN57 3.7 6.9 1.0 CB A:SER179 3.7 8.0 1.0 CA A:GLY58 3.7 8.8 1.0 ND2 B:ASN226 3.8 10.8 1.0 OH B:TYR212 4.0 26.3 1.0 C A:ASN57 4.1 7.5 1.0 N A:LEU59 4.1 6.9 1.0 CB A:TYR181 4.2 7.4 1.0 CA A:ASN57 4.2 7.4 1.0 CA A:SER179 4.4 7.5 1.0 C A:GLY58 4.4 6.5 1.0 OD1 A:ASN57 4.5 8.0 1.0 CG A:ASN57 4.5 7.2 1.0 O A:ALA192 4.6 4.3 1.0 OD1 A:ASP191 4.8 8.5 1.0 N A:TYR181 4.8 6.1 1.0

Chlorine binding site 2 out of 3 in the X-Ray Structure of the Wlarg Aminotransferase, Apo Form, From Campylobacter Jejune


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 the Wlarg Aminotransferase, Apo Form, From Campylobacter Jejune within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:10.3 occ:1.00 NE2 A:HIS298 3.1 12.3 1.0 CE1 A:TYR294 3.7 9.9 1.0 CE1 A:HIS298 3.8 13.5 1.0 CD1 A:TYR294 4.0 9.4 1.0 O A:HOH545 4.1 16.2 1.0 CD2 A:HIS298 4.1 11.2 1.0 CZ A:TYR294 4.9 7.4 1.0 O A:HOH683 4.9 14.2 1.0 O A:HOH716 4.9 17.2 1.0

Chlorine binding site 3 out of 3 in the X-Ray Structure of the Wlarg Aminotransferase, Apo Form, From Campylobacter Jejune


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the Wlarg Aminotransferase, Apo Form, From Campylobacter Jejune within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:16.5 occ:1.00 OG D:SER179 3.0 7.4 1.0 N D:GLY58 3.0 9.1 1.0 O D:HOH585 3.3 10.6 1.0 CB D:SER179 3.6 7.1 1.0 CA D:GLY58 3.7 9.6 1.0 OH C:TYR212 3.7 27.3 1.0 CB D:ASN57 3.8 8.0 1.0 ND2 C:ASN226 3.8 12.1 1.0 C D:ASN57 4.0 7.8 1.0 CB D:TYR181 4.1 10.3 1.0 CA D:ASN57 4.2 8.4 1.0 N D:LEU59 4.2 8.5 1.0 CA D:SER179 4.3 6.8 1.0 O D:ALA192 4.5 4.8 1.0 C D:GLY58 4.5 10.4 1.0 OD1 D:ASN57 4.6 8.9 1.0 CG D:ASN57 4.6 7.7 1.0 N D:TYR181 4.7 6.6 1.0 OD1 D:ASP191 4.8 9.1 1.0 CA D:TYR181 4.9 8.8 1.0 CG D:TYR181 5.0 12.7 1.0

G.T.Dow, M.Gilbert, J.B.Thoden, H.M.Holden. Structural Investigation on Wlarg From Campylobacter Jejuni: A Sugar Aminotransferase. Protein Sci. V. 26 586 2017.
ISSN: ESSN 1469-896X
PubMed: 28028852
DOI: 10.1002/PRO.3109