Chlorine in PDB 2d6b: Novel Bromate Species Trapped Within A Protein Crystal

All present enzymatic activity of Novel Bromate Species Trapped Within A Protein Crystal:
3.2.1.17;

The structure of Novel Bromate Species Trapped Within A Protein Crystal, PDB code: 2d6b was solved by J.Ondracek, J.R.Mesters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.25
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.210, 77.210, 38.191, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.3

The structure of Novel Bromate Species Trapped Within A Protein Crystal also contains other interesting chemical elements:

Bromine	(Br)	90 atoms
Sodium	(Na)	10 atoms

The binding sites of Chlorine atom in the Novel Bromate Species Trapped Within A Protein Crystal (pdb code 2d6b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Novel Bromate Species Trapped Within A Protein Crystal, PDB code: 2d6b:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Novel Bromate Species Trapped Within A Protein Crystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Novel Bromate Species Trapped Within A Protein Crystal within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl140 b:20.2 occ:1.00 O A:HOH1092 2.9 34.0 1.0 OH A:TYR23 3.0 13.3 1.0 O A:HOH1011 3.3 18.5 1.0 CZ A:TYR23 3.7 12.8 1.0 CE2 A:TYR23 3.7 12.0 1.0 CA A:GLY104 4.1 13.1 1.0 O A:ARG21 4.6 18.8 1.0 N A:GLY104 4.7 12.8 1.0 O A:HOH1109 4.8 31.0 1.0 CE1 A:TYR23 4.9 11.0 1.0 CD2 A:TYR23 4.9 13.6 1.0

Chlorine binding site 2 out of 2 in the Novel Bromate Species Trapped Within A Protein Crystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Novel Bromate Species Trapped Within A Protein Crystal within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl141 b:21.1 occ:1.00 OG A:SER24 3.0 18.7 1.0 N A:GLY26 3.1 14.2 1.0 O A:HOH1087 3.2 28.3 1.0 CA A:GLY26 3.5 13.8 1.0 CB A:SER24 3.5 14.9 1.0 CA A:GLN121 3.6 15.1 1.0 CD1 A:ILE124 3.8 26.2 1.0 CB A:GLN121 3.9 21.8 1.0 N A:GLN121 3.9 18.7 1.0 CG A:GLN121 4.0 23.4 1.0 N A:LEU25 4.2 12.6 1.0 C A:SER24 4.2 16.5 1.0 C A:LEU25 4.3 15.6 1.0 O A:VAL120 4.3 17.1 1.0 CG2 A:VAL120 4.3 18.9 1.0 C A:VAL120 4.4 16.3 1.0 CG1 A:ILE124 4.4 18.9 1.0 C A:GLY26 4.5 11.1 1.0 CA A:SER24 4.5 14.6 1.0 N A:ASN27 4.6 11.6 1.0 CA A:LEU25 4.7 14.5 1.0 O A:SER24 4.7 15.0 1.0 C A:GLN121 4.9 17.4 1.0 O A:HOH1079 4.9 24.6 1.0 CB A:LEU25 5.0 14.2 1.0

J.Ondracek, J.R.Mesters. An Ensemble of Crystallographic Models Enables the Description of Novel Bromate-Oxoanion Species Trapped Within A Protein Crystal Acta Crystallogr.,Sect.D V. 62 996 2006.
ISSN: ISSN 0907-4449
PubMed: 16929100
DOI: 10.1107/S0907444906021627