Bromine in PDB 5ki3: Pseudo T4 Lysozyme Mutant - Y18PHE-Br

All present enzymatic activity of Pseudo T4 Lysozyme Mutant - Y18PHE-Br:
3.2.1.17;

The structure of Pseudo T4 Lysozyme Mutant - Y18PHE-Br, PDB code: 5ki3 was solved by H.W.Butta, M.R.Scholfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.40 / 1.65
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.589, 59.589, 95.150, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 25

The binding sites of Bromine atom in the Pseudo T4 Lysozyme Mutant - Y18PHE-Br (pdb code 5ki3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Pseudo T4 Lysozyme Mutant - Y18PHE-Br, PDB code: 5ki3:

Bromine binding site 1 out of 1 in the Pseudo T4 Lysozyme Mutant - Y18PHE-Br


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Pseudo T4 Lysozyme Mutant - Y18PHE-Br within 5.0Å range: probe atom residue distance (Å) B Occ A:Br18 b:20.8 occ:0.63 BR A:4BF18 0.0 20.8 0.6 CZ A:4BF18 1.9 23.6 1.0 CE2 A:4BF18 2.9 18.5 1.0 CE1 A:4BF18 2.9 19.9 1.0 O A:HOH396 3.1 28.9 1.0 O A:GLU11 3.4 18.6 1.0 N A:GLY30 3.6 16.8 1.0 O A:GLY28 3.8 15.1 1.0 CA A:GLY30 3.9 12.9 1.0 CG2 A:THR26 4.1 14.7 1.0 CD2 A:4BF18 4.2 17.4 1.0 CD1 A:4BF18 4.2 18.9 1.0 O A:HOH408 4.4 23.4 1.0 C A:GLU11 4.5 17.2 1.0 O A:HOH503 4.7 38.7 1.0 CG A:4BF18 4.7 16.8 1.0 C A:GLY28 4.8 15.1 1.0 C A:ILE29 4.8 14.4 1.0 CD A:ARG14 4.8 32.5 1.0 O A:GLY12 4.9 20.1 1.0 CG A:ARG14 4.9 25.2 1.0 C A:GLY12 4.9 23.1 1.0 CB A:THR26 5.0 13.6 1.0

M.R.Scholfield, M.C.Ford, A.C.Carlsson, H.Butta, R.A.Mehl, P.S.Ho. Structure-Energy Relationships of Halogen Bonds in Proteins. Biochemistry V. 56 2794 2017.
ISSN: ISSN 1520-4995
PubMed: 28345933
DOI: 10.1021/ACS.BIOCHEM.7B00022