Bromine in PDB 4xjg: X-Ray Structure of Lysozyme B2

All present enzymatic activity of X-Ray Structure of Lysozyme B2:
3.2.1.17;

The structure of X-Ray Structure of Lysozyme B2, PDB code: 4xjg 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)	39.20 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.390, 78.390, 37.880, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24.3

The structure of X-Ray Structure of Lysozyme B2 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Bromine atom in the X-Ray Structure of Lysozyme B2 (pdb code 4xjg). 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 B2, PDB code: 4xjg:
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 B2


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 B2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:20.9 occ:0.80 ND2 A:ASN113 3.5 18.0 1.0 CB A:ASN113 3.7 15.1 1.0 CA A:ALA110 3.8 17.7 1.0 O A:VAL109 4.0 18.5 1.0 CG A:ASN113 4.1 16.3 1.0 N A:ALA110 4.2 17.4 1.0 C A:VAL109 4.2 17.5 1.0 CG2 A:VAL109 4.3 17.0 1.0 CB A:ALA110 4.4 15.8 1.0 CD A:ARG114 4.4 13.9 1.0 CG A:ARG114 4.5 12.4 1.0 CG1 A:VAL109 4.6 23.1 1.0 C A:ALA110 4.9 15.2 1.0 CB A:VAL109 5.0 18.2 1.0

Bromine binding site 2 out of 5 in the X-Ray Structure of Lysozyme B2


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 B2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:24.4 occ:0.71 NH2 A:ARG14 3.4 25.9 1.0 O A:HOH366 3.6 21.3 1.0 N A:ILE88 3.6 15.2 1.0 CG1 A:ILE88 3.8 14.8 1.0 CE1 A:HIS15 3.9 21.4 1.0 CA A:ASP87 4.1 19.9 1.0 O A:HOH317 4.2 29.8 1.0 CB A:ALA11 4.2 16.6 1.0 CG A:ASP87 4.3 24.3 1.0 CZ A:PHE3 4.3 17.4 1.0 O A:SER86 4.4 22.2 1.0 C A:ASP87 4.4 17.2 1.0 OD2 A:ASP87 4.4 30.3 1.0 OD1 A:ASP87 4.5 23.7 1.0 CG2 A:ILE88 4.5 14.9 1.0 CZ A:ARG14 4.5 24.9 1.0 CB A:ILE88 4.5 15.9 1.0 CD1 A:ILE88 4.6 13.4 1.0 CA A:ILE88 4.6 15.1 1.0 NE2 A:HIS15 4.7 23.7 1.0 ND1 A:HIS15 4.7 21.4 1.0 CB A:ASP87 4.8 19.1 1.0 CE2 A:PHE3 4.8 17.6 1.0 NH1 A:ARG14 4.8 24.4 1.0 O A:HOH337 5.0 23.5 1.0

Bromine binding site 3 out of 5 in the X-Ray Structure of Lysozyme B2


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 B2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:30.5 occ:0.61 O A:HOH359 3.1 18.0 1.0 O A:THR69 3.1 25.2 1.0 N A:THR69 3.2 18.9 1.0 C A:THR69 3.5 27.2 1.0 OD1 A:ASN65 3.6 19.5 1.0 N A:ARG68 3.6 17.3 1.0 OG A:SER72 3.7 23.9 1.0 C A:GLY67 3.8 20.2 1.0 CA A:THR69 3.8 23.0 1.0 CA A:GLY67 3.9 17.4 1.0 N A:GLY67 3.9 16.2 1.0 O A:HOH368 4.0 21.9 1.0 C A:ARG68 4.2 22.2 1.0 CB A:THR69 4.2 21.7 1.0 N A:PRO70 4.3 30.6 1.0 CA A:ARG68 4.4 18.2 1.0 OD1 A:ASP66 4.4 17.3 1.0 O A:GLY67 4.4 21.5 1.0 CA A:PRO70 4.7 31.3 1.0 OG1 A:THR69 4.7 17.3 1.0 CG A:ASN65 4.8 18.9 1.0 NA A:NA206 4.8 20.5 1.0 O A:HOH383 4.8 29.3 1.0 N A:ASP66 4.9 13.3 1.0 CB A:SER72 5.0 23.0 1.0 O A:PRO70 5.0 35.2 1.0

Bromine binding site 4 out of 5 in the X-Ray Structure of Lysozyme B2


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 B2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br204 b:18.8 occ:0.66 OG A:SER24 3.2 14.8 1.0 N A:GLY26 3.3 11.6 1.0 CA A:GLN121 3.6 19.1 1.0 CB A:SER24 3.6 12.7 1.0 CA A:GLY26 3.7 14.7 1.0 CB A:GLN121 3.9 22.8 1.0 CG A:GLN121 4.0 23.5 1.0 CD1 A:ILE124 4.0 25.8 1.0 N A:GLN121 4.1 18.9 1.0 CG1 A:ILE124 4.3 19.8 1.0 N A:LEU25 4.4 15.2 1.0 O A:VAL120 4.4 21.0 1.0 C A:VAL120 4.4 18.7 1.0 C A:LEU25 4.5 12.7 1.0 C A:SER24 4.6 15.2 1.0 CG2 A:VAL120 4.6 15.4 1.0 C A:GLY26 4.7 14.6 1.0 CA A:SER24 4.8 14.4 1.0 C A:GLN121 4.8 20.3 1.0 N A:ASN27 4.9 11.1 1.0 CA A:LEU25 4.9 13.8 1.0 O A:GLN121 5.0 21.1 1.0

Bromine binding site 5 out of 5 in the X-Ray Structure of Lysozyme B2


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 B2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br205 b:32.2 occ:0.63 NZ A:LYS33 3.7 27.7 1.0 CE2 A:PHE38 3.8 18.1 1.0 CZ3 A:TRP123 3.9 19.2 1.0 CD A:ARG5 4.3 18.0 1.0 CE A:LYS33 4.4 26.4 1.0 CB A:ARG5 4.4 18.8 1.0 CZ A:PHE38 4.6 16.8 1.0 CD A:LYS33 4.6 16.5 1.0 CH2 A:TRP123 4.7 22.0 1.0 CD2 A:PHE38 4.8 14.3 1.0 CE3 A:TRP123 4.8 20.5 1.0 NE A:ARG5 4.8 19.3 1.0 CG A:ARG5 4.8 18.2 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