Chlorine in PDB 1brt: Bromoperoxidase A2 Mutant M99T

All present enzymatic activity of Bromoperoxidase A2 Mutant M99T:
1.11.1.10;

The structure of Bromoperoxidase A2 Mutant M99T, PDB code: 1brt was solved by B.Hofmann, S.Toelzer, I.Pelletier, J.Altenbuchner, K.H.Van Pee, H.J.Hecht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	90.00 / 1.50
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	121.720, 121.720, 121.720, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 16.4

The binding sites of Chlorine atom in the Bromoperoxidase A2 Mutant M99T (pdb code 1brt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Bromoperoxidase A2 Mutant M99T, PDB code: 1brt:

Chlorine binding site 1 out of 1 in the Bromoperoxidase A2 Mutant M99T


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bromoperoxidase A2 Mutant M99T within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl278 b:12.0 occ:1.00 OG1 A:THR99 3.0 11.3 1.0 NH1 A:ARG58 3.2 12.3 1.0 NE1 A:TRP205 3.3 12.5 1.0 NH2 A:ARG58 3.6 12.2 1.0 CB A:THR99 3.6 8.5 1.0 CB A:ALA201 3.7 15.8 1.0 CB A:PHE32 3.8 9.1 1.0 CZ A:ARG58 3.9 11.6 1.0 CE2 A:TRP205 4.3 11.5 1.0 CD1 A:TRP205 4.3 12.2 1.0 N A:PHE32 4.3 7.6 1.0 CG2 A:THR99 4.3 11.9 1.0 CD1 A:PHE32 4.5 9.8 1.0 CA A:PHE32 4.5 7.4 1.0 OH A:TYR73 4.6 12.7 1.0 CZ A:PHE61 4.6 12.1 1.0 CG A:PHE32 4.6 7.7 1.0 CZ2 A:TRP205 4.6 13.1 1.0 CE2 A:PHE61 4.7 12.4 1.0 CA A:ALA201 4.7 14.2 1.0 OG1 A:THR204 4.7 13.8 1.0 O A:ALA201 4.8 13.0 1.0 CE2 A:PHE76 4.9 18.9 1.0 CA A:THR99 4.9 9.0 1.0 C A:ALA201 5.0 13.7 1.0 C A:THR99 5.0 9.6 1.0

B.Hofmann, S.Tolzer, I.Pelletier, J.Altenbuchner, K.H.Van Pee, H.J.Hecht. Structural Investigation of the Cofactor-Free Chloroperoxidases. J.Mol.Biol. V. 279 889 1998.
ISSN: ISSN 0022-2836
PubMed: 9642069
DOI: 10.1006/JMBI.1998.1802