Bromine in PDB 5ahz: Bromide-Bound Form of Halorhodopsin From Halobacterium Salinarum in A New Rhombohedral Crystal Form

The structure of Bromide-Bound Form of Halorhodopsin From Halobacterium Salinarum in A New Rhombohedral Crystal Form, PDB code: 5ahz was solved by M.Schreiner, R.Schlesinger, J.Heberle, H.H.Niemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.836 / 2.45
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	104.040, 104.040, 138.310, 90.00, 90.00, 120.00
R / Rfree (%)	18.77 / 23.98

The binding sites of Bromine atom in the Bromide-Bound Form of Halorhodopsin From Halobacterium Salinarum in A New Rhombohedral Crystal Form (pdb code 5ahz). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Bromide-Bound Form of Halorhodopsin From Halobacterium Salinarum in A New Rhombohedral Crystal Form, PDB code: 5ahz:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Bromide-Bound Form of Halorhodopsin From Halobacterium Salinarum in A New Rhombohedral Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Bromide-Bound Form of Halorhodopsin From Halobacterium Salinarum in A New Rhombohedral Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1263 b:38.8 occ:0.92 OG1 A:THR111 3.1 24.8 0.6 OG A:SER115 3.2 36.1 1.0 O A:HOH2002 3.3 35.4 1.0 CB A:SER115 3.6 30.9 1.0 CE A:LYS242 3.6 34.5 1.0 CB A:THR111 3.8 29.7 0.4 CB A:THR111 3.8 29.8 0.6 CB A:SER76 3.8 20.8 1.0 NZ A:LYS242 3.8 27.1 1.0 CD1 A:TRP112 3.9 27.2 1.0 OG A:SER76 4.0 34.6 1.0 O A:THR111 4.0 34.3 1.0 CA A:SER73 4.0 35.1 1.0 C A:THR111 4.0 29.9 1.0 O A:HOH2004 4.1 40.1 1.0 CG2 A:THR111 4.2 26.2 0.4 CG1 A:VAL72 4.2 26.1 1.0 N A:TRP112 4.2 26.7 1.0 N A:SER73 4.3 35.6 1.0 O A:VAL72 4.4 30.8 1.0 C A:VAL72 4.5 36.2 1.0 CA A:TRP112 4.5 34.2 1.0 CA A:THR111 4.6 30.8 0.4 CA A:THR111 4.6 30.8 0.6 CB A:SER73 4.6 32.9 1.0 NE1 A:TRP112 4.6 28.1 1.0 OG1 A:THR111 4.7 30.8 0.4 CD A:LYS242 4.8 27.9 1.0 OG A:SER73 4.9 34.3 1.0 CB A:VAL72 4.9 32.1 1.0 CA A:SER115 5.0 33.0 1.0

Bromine binding site 2 out of 2 in the Bromide-Bound Form of Halorhodopsin From Halobacterium Salinarum in A New Rhombohedral Crystal Form


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Bromide-Bound Form of Halorhodopsin From Halobacterium Salinarum in A New Rhombohedral Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1264 b:41.8 occ:0.80 NE A:ARG103 3.1 62.2 1.0 NE2 A:GLN105 3.2 26.5 1.0 O A:HOH2005 3.6 41.2 1.0 NH2 A:ARG103 3.8 49.0 1.0 CG2 A:VAL86 3.9 40.1 1.0 CZ A:ARG103 3.9 56.8 1.0 CD2 A:LEU29 3.9 26.8 1.0 CD A:ARG103 4.0 46.7 1.0 CD1 A:LEU33 4.0 20.5 1.0 CG1 A:VAL86 4.1 38.9 1.0 CD A:GLN105 4.2 32.5 1.0 CG A:GLN105 4.2 31.9 1.0 CD1 A:LEU29 4.5 36.5 1.0 CG A:LEU29 4.6 39.9 1.0 CB A:VAL86 4.6 37.7 1.0 CB A:LEU29 4.6 37.1 1.0 O A:LEU80 4.8 27.1 1.0 CG A:ARG103 4.8 40.7 1.0

M.Schreiner, R.Schlesinger, J.Heberle, H.H.Niemann. Structure of Halorhodopsin From Halobacterium Salinarum in A New Crystal Form That Imposes Little Restraint on the E-F Loop. J.Struct.Biol. 2015.
ISSN: ESSN 1095-8657
PubMed: 25916754
DOI: 10.1016/J.JSB.2015.04.010