Bromine in PDB 7l1e: The Crystal Structure of Bromide-Bound GTACR1

Protein crystallography data

The structure of The Crystal Structure of Bromide-Bound GTACR1, PDB code: 7l1e was solved by H.Li, C.Y.Huang, M.Wang, J.L.Spudich, L.Zheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.94 / 3.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 61.66, 77.64, 73.63, 90, 95.59, 90
R / Rfree (%) 24.1 / 28.6

Bromine Binding Sites:

The binding sites of Bromine atom in the The Crystal Structure of Bromide-Bound GTACR1 (pdb code 7l1e). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the The Crystal Structure of Bromide-Bound GTACR1, PDB code: 7l1e:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 7l1e

Go back to Bromine Binding Sites List in 7l1e
Bromine binding site 1 out of 2 in the The Crystal Structure of Bromide-Bound GTACR1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Crystal Structure of Bromide-Bound GTACR1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br301

b:71.8
occ:0.65
CD A:PRO58 3.1 69.3 1.0
CG A:PRO58 3.6 74.1 1.0
CD2 A:LEU245 3.7 41.2 1.0
CB A:ALA61 4.1 54.5 1.0
CB A:PRO58 4.2 69.0 1.0
N A:PRO58 4.2 65.4 1.0
CD1 A:TRP250 4.3 77.2 1.0
NE1 A:TRP250 4.4 78.4 1.0
CD1 A:TRP246 4.5 75.2 1.0
CB A:TRP246 4.6 54.1 1.0
OG1 A:THR249 4.6 55.2 1.0
CA A:TRP246 4.6 46.1 1.0
N A:TRP246 4.9 46.4 1.0
CA A:PRO58 4.9 68.4 1.0

Bromine binding site 2 out of 2 in 7l1e

Go back to Bromine Binding Sites List in 7l1e
Bromine binding site 2 out of 2 in the The Crystal Structure of Bromide-Bound GTACR1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Crystal Structure of Bromide-Bound GTACR1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:71.0
occ:0.56
CD B:PRO58 3.2 89.2 1.0
CD1 B:TRP250 3.3 84.9 1.0
NE1 B:TRP250 3.5 87.7 1.0
CG B:PRO58 4.0 92.3 1.0
CD1 B:TRP246 4.2 49.1 1.0
OG1 B:THR249 4.3 50.8 1.0
CA B:TRP246 4.3 49.8 1.0
O B:LYS56 4.4 95.8 1.0
CB B:TRP246 4.4 51.2 1.0
N B:PRO58 4.4 87.0 1.0
CD2 B:LEU245 4.4 49.7 1.0
CG B:TRP250 4.6 79.1 1.0
CA B:VAL57 4.6 79.0 1.0
CB B:ALA61 4.7 40.8 1.0
CG B:TRP246 4.7 53.9 1.0
N B:TRP246 4.8 46.6 1.0
CE2 B:TRP250 4.9 91.6 1.0

Reference:

H.Li, C.Y.Huang, E.G.Govorunova, O.A.Sineshchekov, A.Yi, K.J.Rothschild, M.Wang, L.Zheng, J.L.Spudich, S.Subramaniam. The Crystal Structure of Bromide-Bound GTACR1 Reveals A Pre-Activated State in the Transmembrane Anion Tunnel Elife V. 10 2021.
ISSN: ESSN 2050-084X
DOI: 10.7554/ELIFE.65903
Page generated: Sat Jul 10 09:59:16 2021

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