Bromine in PDB 5gy0: Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose

The structure of Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose, PDB code: 5gy0 was solved by W.Y.Jeng, C.I.Liu, A.H.J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.94 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	108.023, 108.797, 139.378, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 18.3

The structure of Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose also contains other interesting chemical elements:

Chlorine	(Cl)	7 atoms
Calcium	(Ca)	4 atoms

The binding sites of Bromine atom in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose (pdb code 5gy0). 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 Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose, PDB code: 5gy0:

Bromine binding site 1 out of 1 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose


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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose within 5.0Å range: probe atom residue distance (Å) B Occ B:Br703 b:30.9 occ:1.00 O B:HOH1526 3.5 40.5 1.0 O B:HOH1267 3.9 36.3 1.0 CA B:GLY165 3.9 15.1 1.0 CG B:LYS166 4.2 16.8 1.0 CG2 B:THR209 4.2 20.6 1.0 C B:GLY165 4.3 16.3 1.0 CB B:SER133 4.3 16.8 1.0 O B:HOH1271 4.3 40.4 1.0 N B:LYS166 4.4 14.1 1.0 CE B:LYS166 4.5 23.1 1.0 CD B:LYS166 4.5 18.4 1.0 CB B:THR209 4.5 18.0 1.0 N B:GLY165 4.7 14.3 1.0 OG1 B:THR209 4.8 18.6 1.0 CB B:LYS166 4.9 14.0 1.0 O B:VAL164 4.9 15.8 1.0 OG B:SER133 4.9 21.6 1.0 O B:GLY165 5.0 14.4 1.0

W.Y.Jeng, C.I.Liu, T.J.Lu, H.J.Lin, N.C.Wang, A.H.Wang. Crystal Structures of the C-Terminally Truncated Endoglucanase CEL9Q From Clostridium Thermocellum Complexed with Cellodextrins and Tris. Chembiochem V. 20 295 2019.
ISSN: ESSN 1439-7633
PubMed: 30609216
DOI: 10.1002/CBIC.201800789