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

Protein crystallography data

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

Bromine Binding Sites:

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 5ahz

Go back to Bromine Binding Sites List in 5ahz
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 5ahz

Go back to Bromine Binding Sites List in 5ahz
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

Reference:

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
Page generated: Sat Dec 12 02:24:49 2020

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