Bromine in PDB 4xjf: X-Ray Structure of Lysozyme B1

All present enzymatic activity of X-Ray Structure of Lysozyme B1:
3.2.1.17;

The structure of X-Ray Structure of Lysozyme B1, PDB code: 4xjf was solved by C.Y.Huang, V.Olieric, K.Diederichs, M.Wang, M.Caffrey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.55 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.100, 79.100, 38.470, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.7

The structure of X-Ray Structure of Lysozyme B1 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Bromine atom in the X-Ray Structure of Lysozyme B1 (pdb code 4xjf). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the X-Ray Structure of Lysozyme B1, PDB code: 4xjf:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the X-Ray Structure of Lysozyme B1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Structure of Lysozyme B1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:29.4 occ:0.71 OH A:TYR23 3.1 18.0 1.0 O A:HOH320 3.6 23.9 1.0 CE2 A:TYR23 3.8 18.0 1.0 CZ A:TYR23 3.9 16.0 1.0 CA A:GLY104 4.0 19.8 1.0 O A:HOH306 4.3 29.7 1.0 O A:ARG21 4.6 26.2 1.0 N A:GLY104 4.7 17.2 1.0

Bromine binding site 2 out of 5 in the X-Ray Structure of Lysozyme B1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of X-Ray Structure of Lysozyme B1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:35.0 occ:0.63 OG A:SER24 3.1 24.2 1.0 N A:GLY26 3.2 18.5 1.0 CB A:SER24 3.5 23.4 1.0 CA A:GLY26 3.6 18.6 1.0 CA A:GLN121 3.6 25.9 0.9 CD1 A:ILE124 3.8 33.6 1.0 CB A:GLN121 4.0 27.1 0.9 CG A:GLN121 4.0 40.0 0.9 N A:GLN121 4.1 23.5 0.9 N A:LEU25 4.2 17.6 1.0 CG1 A:ILE124 4.3 29.4 1.0 C A:SER24 4.3 24.3 1.0 C A:LEU25 4.4 16.9 1.0 O A:VAL120 4.4 22.3 1.0 C A:VAL120 4.4 25.1 1.0 CG2 A:VAL120 4.4 24.0 1.0 CA A:SER24 4.6 22.3 1.0 C A:GLY26 4.7 19.2 1.0 CA A:LEU25 4.7 17.6 1.0 N A:ASN27 4.8 14.7 1.0 O A:SER24 4.8 18.0 1.0 C A:GLN121 4.8 26.9 0.9 CB A:LEU25 5.0 25.0 1.0

Bromine binding site 3 out of 5 in the X-Ray Structure of Lysozyme B1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of X-Ray Structure of Lysozyme B1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:55.9 occ:0.53 O A:HOH345 3.3 39.8 1.0 CE2 A:PHE38 4.0 24.1 1.0 CD A:ARG5 4.1 22.9 1.0 CZ3 A:TRP123 4.3 26.9 1.0 CB A:ARG5 4.3 29.2 1.0 NZ A:LYS33 4.3 40.1 1.0 NE A:ARG5 4.6 28.7 1.0 CG A:ARG5 4.7 24.9 1.0 CD A:LYS33 4.7 25.5 1.0 CZ A:PHE38 4.7 20.1 1.0 CE A:LYS33 4.7 34.3 1.0 CD2 A:PHE38 4.9 19.6 1.0 CE3 A:TRP123 5.0 23.1 1.0

Bromine binding site 4 out of 5 in the X-Ray Structure of Lysozyme B1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of X-Ray Structure of Lysozyme B1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br204 b:45.6 occ:0.55 N A:ILE88 3.6 24.8 1.0 O A:HOH349 3.8 46.1 1.0 CG1 A:ILE88 3.9 21.7 1.0 CA A:ASP87 4.1 26.3 1.0 O A:SER86 4.1 30.1 1.0 CE1 A:HIS15 4.1 32.5 1.0 NH2 A:ARG14 4.2 47.0 1.0 OD1 A:ASP87 4.2 32.2 1.0 CB A:ALA11 4.3 23.9 1.0 C A:ASP87 4.3 24.1 1.0 CZ A:PHE3 4.5 28.1 1.0 CB A:ILE88 4.5 19.9 1.0 CG2 A:ILE88 4.5 20.1 1.0 CD1 A:ILE88 4.6 23.9 1.0 CG A:ASP87 4.6 35.6 1.0 CA A:ILE88 4.6 19.6 1.0 ND1 A:HIS15 4.8 28.3 1.0 CE2 A:PHE3 4.9 22.9 1.0 CB A:ASP87 4.9 26.7 1.0 C A:SER86 5.0 24.1 1.0

Bromine binding site 5 out of 5 in the X-Ray Structure of Lysozyme B1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of X-Ray Structure of Lysozyme B1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br205 b:45.5 occ:0.47 O A:HOH330 2.9 24.9 0.9 O A:THR69 3.2 31.3 1.0 OD1 A:ASN65 3.3 35.4 1.0 N A:THR69 3.3 22.9 1.0 N A:ARG68 3.6 18.6 1.0 N A:GLY67 3.6 22.4 1.0 C A:THR69 3.7 24.4 1.0 OG A:SER72 3.7 35.3 1.0 CA A:GLY67 3.7 22.4 1.0 C A:GLY67 3.8 24.4 1.0 O A:HOH351 3.9 26.4 0.8 CA A:THR69 4.0 23.8 1.0 OD1 A:ASP66 4.3 21.3 1.0 CB A:THR69 4.3 24.0 1.0 C A:ARG68 4.3 29.3 1.0 CA A:ARG68 4.4 20.9 1.0 CG A:ASN65 4.4 32.6 1.0 N A:PRO70 4.5 33.3 1.0 N A:ASP66 4.6 19.8 1.0 O A:GLY67 4.6 27.1 1.0 C A:ASP66 4.7 22.1 1.0 NA A:NA206 4.7 28.2 1.0 OG1 A:THR69 4.8 22.5 1.0 CA A:PRO70 5.0 39.1 1.0 CB A:SER72 5.0 34.7 1.0

C.Y.Huang, V.Olieric, P.Ma, E.Panepucci, K.Diederichs, M.Wang, M.Caffrey. In Meso in Situ Serial X-Ray Crystallography of Soluble and Membrane Proteins. Acta Crystallogr.,Sect.D V. 71 1238 2015.
ISSN: ESSN 1399-0047
PubMed: 26057665
DOI: 10.1107/S1399004715005210