Bromine in PDB 3ott: Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron

The structure of Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron, PDB code: 3ott was solved by Z.Zhang, Q.Liu, W.A.Hendrickson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.27 / 2.30
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.173, 88.173, 432.956, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 25.3

The structure of Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron also contains other interesting chemical elements:

Tantalum

(Ta)

12 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron (pdb code 3ott). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 24 binding sites of Bromine where determined in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron, PDB code: 3ott:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 24 in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron


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 the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:51.5 occ:0.50 BR1 A:TBR1 0.0 51.5 0.5 TA1 A:TBR1 2.6 44.6 0.5 TA2 A:TBR1 2.6 47.7 0.5 O A:SER58 3.1 20.2 1.0 CA A:GLU59 3.5 19.9 1.0 BRC A:TBR1 3.6 52.4 0.5 BR5 A:TBR1 3.6 51.6 0.5 C A:GLU59 3.6 19.4 1.0 BR2 A:TBR1 3.7 52.6 0.5 O A:GLU59 3.8 20.2 1.0 BR4 A:TBR1 3.8 49.9 0.5 C A:SER58 4.0 19.6 1.0 N A:GLY60 4.1 17.4 1.0 TA3 A:TBR1 4.2 46.3 0.5 TA6 A:TBR1 4.2 48.3 0.5 N A:GLU59 4.3 19.8 1.0 CB A:GLU59 4.6 19.4 1.0 CA A:GLY60 4.7 17.2 1.0

Bromine binding site 2 out of 24 in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron


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 the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:52.6 occ:0.50 BR2 A:TBR1 0.0 52.6 0.5 TA1 A:TBR1 2.6 44.6 0.5 TA3 A:TBR1 2.7 46.3 0.5 OE2 A:GLU381 3.2 0.7 1.0 BR3 A:TBR1 3.3 54.4 0.5 BR6 A:TBR1 3.5 50.6 0.5 BR1 A:TBR1 3.7 51.5 0.5 BR5 A:TBR1 3.8 51.6 0.5 TA5 A:TBR1 4.0 49.0 0.5 CD A:GLU381 4.1 0.2 1.0 TA2 A:TBR1 4.2 47.7 0.5 OE1 A:GLU381 4.6 0.4 1.0

Bromine binding site 3 out of 24 in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron


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 the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:54.4 occ:0.50 BR3 A:TBR1 0.0 54.4 0.5 TA5 A:TBR1 2.6 49.0 0.5 TA1 A:TBR1 2.6 44.6 0.5 BR2 A:TBR1 3.3 52.6 0.5 BR4 A:TBR1 3.4 49.9 0.5 BRB A:TBR1 3.5 56.8 0.5 BR6 A:TBR1 3.6 50.6 0.5 O A:GLU660 3.7 53.8 1.0 CD A:PRO662 4.0 37.7 1.0 TA3 A:TBR1 4.0 46.3 0.5 TA6 A:TBR1 4.1 48.3 0.5 CA A:ARG661 4.5 45.0 1.0 C A:GLU660 4.8 52.7 1.0 CG A:ARG661 5.0 49.9 1.0 CG A:PRO662 5.0 36.9 1.0 CB A:ARG661 5.0 45.0 1.0

Bromine binding site 4 out of 24 in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron


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 the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:49.9 occ:0.50 BR4 A:TBR1 0.0 49.9 0.5 TA6 A:TBR1 2.6 48.3 0.5 TA1 A:TBR1 2.6 44.6 0.5 BR3 A:TBR1 3.4 54.4 0.5 BRB A:TBR1 3.4 56.8 0.5 BRC A:TBR1 3.7 52.4 0.5 BR1 A:TBR1 3.8 51.5 0.5 TA5 A:TBR1 4.1 49.0 0.5 TA2 A:TBR1 4.2 47.7 0.5 O A:GLU59 4.4 20.2 1.0 CD A:PRO662 4.9 37.7 1.0 CG A:ARG661 4.9 49.9 1.0 CA A:GLY60 5.0 17.2 1.0

Bromine binding site 5 out of 24 in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:51.6 occ:0.50 BR5 A:TBR1 0.0 51.6 0.5 TA3 A:TBR1 2.6 46.3 0.5 TA2 A:TBR1 2.6 47.7 0.5 BR9 A:TBR1 3.5 54.3 0.5 BR1 A:TBR1 3.6 51.5 0.5 BRA A:TBR1 3.6 51.7 0.5 BR2 A:TBR1 3.8 52.6 0.5 TA1 A:TBR1 4.0 44.6 0.5 TA4 A:TBR1 4.1 51.8 0.5 O A:SER58 4.6 20.2 1.0

Bromine binding site 6 out of 24 in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:50.6 occ:0.50 BR6 A:TBR1 0.0 50.6 0.5 TA3 A:TBR1 2.6 46.3 0.5 TA5 A:TBR1 2.6 49.0 0.5 BR2 A:TBR1 3.5 52.6 0.5 BRA A:TBR1 3.6 51.7 0.5 BR3 A:TBR1 3.6 54.4 0.5 BR7 A:TBR1 3.6 54.0 0.5 TA4 A:TBR1 4.2 51.8 0.5 TA1 A:TBR1 4.2 44.6 0.5 NE2 A:GLN343 4.3 68.0 1.0 CD A:GLN343 4.5 70.3 1.0 OE1 A:GLN343 4.7 71.4 1.0 OE2 A:GLU381 4.9 0.7 1.0 O A:GLY380 4.9 82.7 1.0

Bromine binding site 7 out of 24 in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:54.0 occ:0.50 BR7 A:TBR1 0.0 54.0 0.5 TA5 A:TBR1 2.6 49.0 0.5 TA4 A:TBR1 2.6 51.8 0.5 BRA A:TBR1 3.6 51.7 0.5 BRB A:TBR1 3.6 56.8 0.5 BR8 A:TBR1 3.6 52.4 0.5 BR6 A:TBR1 3.6 50.6 0.5 NE2 A:GLN337 4.1 81.7 1.0 TA3 A:TBR1 4.1 46.3 0.5 TA6 A:TBR1 4.2 48.3 0.5 OE1 A:GLN343 4.5 71.4 1.0 CB A:PRO659 5.0 60.4 1.0

Bromine binding site 8 out of 24 in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:52.4 occ:0.50 BR8 A:TBR1 0.0 52.4 0.5 TA4 A:TBR1 2.6 51.8 0.5 TA6 A:TBR1 2.6 48.3 0.5 BR9 A:TBR1 3.6 54.3 0.5 BRB A:TBR1 3.6 56.8 0.5 CG A:GLU316 3.6 31.0 1.0 BR7 A:TBR1 3.6 54.0 0.5 BRC A:TBR1 3.7 52.4 0.5 O A:GLN315 4.0 25.9 1.0 CB A:GLN315 4.1 27.0 1.0 TA2 A:TBR1 4.1 47.7 0.5 TA5 A:TBR1 4.1 49.0 0.5 C A:GLN315 4.3 25.2 1.0 CD A:GLU316 4.5 38.5 1.0 N A:GLU316 4.5 24.1 1.0 CA A:GLU316 4.7 24.5 1.0 CB A:GLU316 4.7 25.1 1.0 CA A:GLN315 4.9 26.2 1.0

Bromine binding site 9 out of 24 in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:54.3 occ:0.50 BR9 A:TBR1 0.0 54.3 0.5 TA2 A:TBR1 2.6 47.7 0.5 TA4 A:TBR1 2.6 51.8 0.5 BR5 A:TBR1 3.5 51.6 0.5 BR8 A:TBR1 3.6 52.4 0.5 BRC A:TBR1 3.6 52.4 0.5 BRA A:TBR1 3.7 51.7 0.5 CB A:GLN315 4.0 27.0 1.0 TA6 A:TBR1 4.1 48.3 0.5 TA3 A:TBR1 4.1 46.3 0.5 NE2 A:GLN315 4.2 43.2 1.0 CG A:GLN315 4.3 34.5 1.0 CD A:GLN315 4.8 43.5 1.0

Bromine binding site 10 out of 24 in the Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of the Extracellular Domain of the Putative One Component System BT4673 From B. Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:51.7 occ:0.50 BRA A:TBR1 0.0 51.7 0.5 TA3 A:TBR1 2.6 46.3 0.5 TA4 A:TBR1 2.6 51.8 0.5 BR6 A:TBR1 3.6 50.6 0.5 BR7 A:TBR1 3.6 54.0 0.5 BR5 A:TBR1 3.6 51.6 0.5 BR9 A:TBR1 3.7 54.3 0.5 OE1 A:GLN343 3.7 71.4 1.0 TA5 A:TBR1 4.1 49.0 0.5 TA2 A:TBR1 4.2 47.7 0.5 CD A:GLN343 4.3 70.3 1.0 CG A:GLN343 4.8 70.2 1.0

Z.Zhang, Q.Liu, W.A.Hendrickson. Crystal Structures of Apparent Saccharide Sensors From Histidine Kinase Receptors Prevalent in A Human Gut Symbiont. Febs J. V. 281 4263 2014.
ISSN: ISSN 1742-464X
PubMed: 24995510
DOI: 10.1111/FEBS.12904