Chlorine in PDB 5hy1: High Resolution Structure of Barbiturase

All present enzymatic activity of High Resolution Structure of Barbiturase:
3.5.2.1;

The structure of High Resolution Structure of Barbiturase, PDB code: 5hy1 was solved by T.S.Peat, C.Scott, S.Balotra, M.Wilding, J.Newman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.20 / 2.01
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.403, 82.356, 114.552, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 22.3

The structure of High Resolution Structure of Barbiturase also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the High Resolution Structure of Barbiturase (pdb code 5hy1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the High Resolution Structure of Barbiturase, PDB code: 5hy1:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the High Resolution Structure of Barbiturase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution Structure of Barbiturase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:55.2 occ:1.00 NH2 A:ARG34 3.4 34.3 1.0 N A:ALA102 3.5 29.7 1.0 CA A:PRO101 4.0 30.7 1.0 CB A:ALA102 4.1 33.5 1.0 C A:PRO101 4.3 28.2 1.0 O A:HOH726 4.4 34.4 1.0 CZ A:ARG34 4.4 33.1 1.0 CB A:PRO101 4.4 30.8 1.0 CA A:ALA102 4.4 27.1 1.0 NH1 A:ARG34 4.6 36.0 1.0 OE2 A:GLU3 5.0 51.5 1.0

Chlorine binding site 2 out of 3 in the High Resolution Structure of Barbiturase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Resolution Structure of Barbiturase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:54.6 occ:1.00 NH1 A:ARG254 3.7 21.4 1.0 NH2 A:ARG254 3.8 23.0 1.0 O A:HOH648 3.9 41.0 1.0 CZ A:ARG254 4.2 23.1 1.0 CG A:PRO111 4.5 23.5 1.0 CD A:PRO111 4.5 25.1 1.0 O A:HOH699 4.5 39.1 1.0 OE1 A:GLU110 4.9 29.8 0.5

Chlorine binding site 3 out of 3 in the High Resolution Structure of Barbiturase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of High Resolution Structure of Barbiturase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:57.2 occ:1.00 N A:GLU282 3.7 34.5 1.0 CA A:PRO281 3.9 34.2 1.0 CB A:PRO281 4.0 32.8 1.0 CB A:GLU282 4.4 43.9 1.0 C A:PRO281 4.4 35.2 1.0 CA A:GLU282 4.7 37.2 1.0 CG A:PRO281 4.9 32.1 1.0

T.S.Peat, S.Balotra, M.Wilding, C.J.Hartley, J.Newman, C.Scott. High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes. Appl. Environ. Microbiol. V. 83 2017.
ISSN: ESSN 1098-5336
PubMed: 28235873
DOI: 10.1128/AEM.03365-16