Bromine in PDB 4n8o: Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative

The structure of Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative, PDB code: 4n8o was solved by D.Mavrici, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.08 / 2.30
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	133.167, 133.167, 28.769, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 23.9

The structure of Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative also contains other interesting chemical elements:

Potassium

(K)

4 atoms

The binding sites of Bromine atom in the Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative (pdb code 4n8o). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative, PDB code: 4n8o:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:33.4 occ:0.42 O A:HOH344 3.1 43.5 1.0 O A:HOH350 3.3 37.0 1.0 CG A:ARG99 3.7 39.9 1.0 N A:GLN100 3.8 32.0 1.0 CB A:SER71 3.8 40.0 1.0 CB A:ASN98 3.9 33.6 1.0 CG A:ASN98 3.9 30.1 1.0 OD1 A:ASN98 3.9 32.4 1.0 CB A:GLN100 3.9 32.8 1.0 CA A:SER71 4.0 34.0 1.0 O A:HOH304 4.0 24.3 1.0 N A:ARG99 4.1 28.0 1.0 OG A:SER71 4.3 39.2 1.0 CA A:GLN100 4.5 35.4 1.0 ND2 A:ASN98 4.5 35.5 1.0 O A:ASP70 4.7 39.6 1.0 CD A:ARG99 4.7 48.7 1.0 C A:ARG99 4.7 32.3 1.0 CA A:ARG99 4.7 30.5 1.0 N A:SER71 4.7 35.4 1.0 O A:HOH348 4.7 30.1 1.0 CB A:ARG99 4.8 24.4 1.0 C A:ASN98 4.8 26.5 1.0 CA A:ASN98 4.9 28.9 1.0 C A:ASP70 4.9 33.1 1.0

Bromine binding site 2 out of 4 in the Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:39.6 occ:0.36 O A:HOH328 3.2 35.7 1.0 NH2 A:ARG82 3.4 32.6 1.0 N A:PHE96 3.4 29.6 1.0 NH1 A:ARG82 4.0 33.4 1.0 CZ A:ARG82 4.2 35.5 1.0 CB A:PHE96 4.2 21.8 1.0 CG A:ARG95 4.2 33.9 1.0 O A:PHE96 4.2 29.9 1.0 CA A:ARG95 4.2 29.9 1.0 CA A:PHE96 4.3 28.4 1.0 C A:ARG95 4.3 28.6 1.0 CB A:ARG95 4.7 33.5 1.0 C A:PHE96 4.7 28.1 1.0

Bromine binding site 3 out of 4 in the Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:14.2 occ:0.36 O A:HOH332 2.8 24.4 1.0 NE2 A:GLN146 3.3 23.2 1.0 NE2 B:GLN146 3.3 14.5 1.0 CE A:LYS84 3.4 44.9 1.0 NZ A:LYS84 3.5 45.9 1.0 CG A:PRO147 3.9 20.6 1.0 O A:HOH330 4.1 29.7 1.0 CD A:PRO147 4.2 21.3 1.0 CB A:PRO147 4.2 18.1 1.0 CD A:LYS84 4.2 35.2 1.0 NZ B:LYS84 4.2 46.1 1.0 CD B:GLN146 4.3 22.3 1.0 CD A:GLN146 4.3 27.6 1.0 OE1 B:GLN146 4.4 22.2 1.0 CG B:PRO147 4.5 16.0 1.0 OE1 A:GLN146 4.6 25.1 1.0 CG B:LYS84 4.7 23.7 1.0 CD B:LYS84 4.7 25.0 1.0 O B:HOH367 4.8 27.2 1.0 O A:HOH345 4.8 25.1 1.0 O A:PRO147 4.9 22.9 1.0

Bromine binding site 4 out of 4 in the Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Mycobacterial Ftsx Extracellular Domain, Bromide Derivative within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:23.2 occ:0.29 N B:GLN100 3.2 28.6 1.0 CG B:ASN98 3.5 25.5 1.0 CB B:GLN100 3.5 20.8 1.0 N B:ARG99 3.6 27.4 1.0 O B:HOH302 3.7 19.5 1.0 OD1 B:ASN98 3.7 27.7 1.0 CB B:ASN98 3.7 20.9 1.0 ND2 B:ASN98 3.8 25.7 1.0 CB B:SER71 3.9 19.5 1.0 CA B:GLN100 4.0 25.6 1.0 CB B:ARG99 4.0 21.2 1.0 CA B:ARG99 4.1 21.4 1.0 C B:ARG99 4.1 25.1 1.0 CA B:SER71 4.2 21.7 1.0 C B:ASN98 4.4 22.5 1.0 O B:SER67 4.6 20.0 1.0 CA B:ASN98 4.7 23.8 1.0 CG B:ARG99 4.8 25.9 1.0 CG B:GLN100 4.9 25.0 1.0

D.Mavrici, M.J.Marakalala, J.M.Holton, D.M.Prigozhin, C.L.Gee, Y.J.Zhang, E.J.Rubin, T.Alber. Mycobacterium Tuberculosis Ftsx Extracellular Domain Activates the Peptidoglycan Hydrolase, Ripc. Proc.Natl.Acad.Sci.Usa V. 111 8037 2014.
ISSN: ISSN 0027-8424
PubMed: 24843173
DOI: 10.1073/PNAS.1321812111