Bromine in PDB 6uyh: Crystal Structure of Prolyl-Trna Synthetase From Naegleria Fowleri in Complex with Halofuginone and Amppnp

The structure of Crystal Structure of Prolyl-Trna Synthetase From Naegleria Fowleri in Complex with Halofuginone and Amppnp, PDB code: 6uyh was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.66 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	157.290, 66.540, 112.560, 90.00, 101.74, 90.00
R / Rfree (%)	15.4 / 18

The structure of Crystal Structure of Prolyl-Trna Synthetase From Naegleria Fowleri in Complex with Halofuginone and Amppnp also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Bromine atom in the Crystal Structure of Prolyl-Trna Synthetase From Naegleria Fowleri in Complex with Halofuginone and Amppnp (pdb code 6uyh). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Prolyl-Trna Synthetase From Naegleria Fowleri in Complex with Halofuginone and Amppnp, PDB code: 6uyh:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Prolyl-Trna Synthetase From Naegleria Fowleri in Complex with Halofuginone and Amppnp


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 Prolyl-Trna Synthetase From Naegleria Fowleri in Complex with Halofuginone and Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Br602 b:38.3 occ:1.00 BR1 A:HFG602 0.0 38.3 1.0 C7 A:HFG602 1.9 23.4 1.0 C8 A:HFG602 2.8 22.3 1.0 C6 A:HFG602 2.9 21.5 1.0 CL1 A:HFG602 3.3 29.2 1.0 O A:PHE87 3.5 34.9 1.0 CG2 A:VAL91 3.5 26.3 1.0 CB A:PRO110 3.6 24.7 1.0 CB A:GLU90 3.6 33.2 1.0 C A:GLU90 3.7 24.9 1.0 N A:VAL91 3.8 22.7 1.0 O A:GLU90 3.9 24.7 1.0 CB A:PHE87 4.0 32.1 1.0 CG A:PRO110 4.1 23.7 1.0 CA A:VAL91 4.1 22.0 1.0 C9 A:HFG602 4.1 23.1 1.0 C5 A:HFG602 4.2 20.5 1.0 CA A:GLU90 4.2 28.1 1.0 OE2 A:GLU90 4.3 37.3 1.0 C A:PHE87 4.4 38.1 1.0 CB A:VAL91 4.4 26.8 1.0 C10 A:HFG602 4.7 22.3 1.0 N A:GLU90 4.7 29.4 1.0 CG A:PHE87 4.7 34.8 1.0 CG A:ARG142 4.7 21.8 1.0 CA A:PHE87 4.7 39.4 1.0 CG A:GLU90 4.8 41.8 1.0 O A:HOH817 5.0 20.7 1.0 CD1 A:PHE87 5.0 37.5 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Prolyl-Trna Synthetase From Naegleria Fowleri in Complex with Halofuginone and Amppnp


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 Prolyl-Trna Synthetase From Naegleria Fowleri in Complex with Halofuginone and Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Br704 b:40.2 occ:1.00 BR1 B:HFG704 0.0 40.2 1.0 C7 B:HFG704 1.9 25.2 1.0 C8 B:HFG704 2.8 21.5 1.0 C6 B:HFG704 2.9 18.9 1.0 CL1 B:HFG704 3.3 27.9 1.0 CG2 B:VAL91 3.5 26.6 1.0 CB B:GLU90 3.5 33.2 1.0 O B:PHE87 3.5 38.8 1.0 CB B:PRO110 3.6 22.5 1.0 C B:GLU90 3.7 21.5 1.0 N B:VAL91 3.7 22.7 1.0 O B:GLU90 3.9 26.4 1.0 CB B:PHE87 3.9 41.9 1.0 CA B:VAL91 4.0 23.1 1.0 CG B:PRO110 4.1 21.9 1.0 CA B:GLU90 4.1 26.5 1.0 C9 B:HFG704 4.1 19.6 1.0 C5 B:HFG704 4.2 16.5 1.0 OE1 B:GLU90 4.2 35.2 1.0 C B:PHE87 4.4 42.9 1.0 CB B:VAL91 4.4 21.3 1.0 N B:GLU90 4.6 26.4 1.0 C10 B:HFG704 4.7 18.3 1.0 CG B:ARG142 4.7 21.9 1.0 CG B:PHE87 4.7 45.7 1.0 CA B:PHE87 4.7 47.8 1.0 CG B:GLU90 4.8 35.4 1.0 O B:HOH862 4.9 20.0 1.0 CD B:GLU90 5.0 44.3 1.0

D.M.Dranow, J.Abendroth, D.D.Lorimer, P.S.Horanyi, T.E.Edwards. Crystal Structure of Prolyl-Trna Synthetase From Naegleria Fowleri in Complex with Halofuginone and Amppnp To Be Published.