Bromine in PDB 6d7x: Crystal Structure of Rat TRPV6*-Y466A- in Complex with Brominated 2- Aminoethoxydiphenyl Borate (2-Apb-Br)

The structure of Crystal Structure of Rat TRPV6*-Y466A- in Complex with Brominated 2- Aminoethoxydiphenyl Borate (2-Apb-Br), PDB code: 6d7x was solved by A.K.Singh, K.Saotome, L.L.Mcgoldrick, A.I.Sobolevsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.54 / 3.60
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	144.350, 144.350, 113.370, 90.00, 90.00, 90.00
R / Rfree (%)	28.2 / 31.6

The structure of Crystal Structure of Rat TRPV6*-Y466A- in Complex with Brominated 2- Aminoethoxydiphenyl Borate (2-Apb-Br) also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Bromine atom in the Crystal Structure of Rat TRPV6*-Y466A- in Complex with Brominated 2- Aminoethoxydiphenyl Borate (2-Apb-Br) (pdb code 6d7x). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Rat TRPV6*-Y466A- in Complex with Brominated 2- Aminoethoxydiphenyl Borate (2-Apb-Br), PDB code: 6d7x:

Bromine binding site 1 out of 1 in the Crystal Structure of Rat TRPV6*-Y466A- in Complex with Brominated 2- Aminoethoxydiphenyl Borate (2-Apb-Br)


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 Rat TRPV6*-Y466A- in Complex with Brominated 2- Aminoethoxydiphenyl Borate (2-Apb-Br) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br703 b:0.4 occ:1.00 BR1 A:FYY703 0.0 0.4 1.0 C11 A:FYY703 1.9 0.2 1.0 C10 A:FYY703 2.9 0.7 1.0 C12 A:FYY703 2.9 0.1 1.0 O A:GLY421 3.2 0.8 1.0 CB A:ALA598 3.7 0.5 1.0 O A:VAL296 3.8 0.8 1.0 C A:GLY421 4.0 0.8 1.0 CA A:GLY421 4.0 0.8 1.0 C09 A:FYY703 4.2 0.8 1.0 C13 A:FYY703 4.2 0.2 1.0 O A:ALA598 4.2 0.3 1.0 C A:ALA598 4.5 95.8 1.0 CA A:ALA598 4.5 98.4 1.0 CD1 A:ILE419 4.6 0.4 1.0 C08 A:FYY703 4.7 0.6 1.0 C A:VAL296 4.7 0.2 1.0 N A:GLY421 4.8 0.8 1.0 CB A:VAL296 4.8 94.2 1.0 CG2 A:VAL296 4.9 97.1 1.0

A.K.Singh, K.Saotome, L.L.Mcgoldrick, A.I.Sobolevsky. Structural Bases of Trp Channel TRPV6 Allosteric Modulation By 2-Apb. Nat Commun V. 9 2465 2018.
ISSN: ESSN 2041-1723
PubMed: 29941865
DOI: 10.1038/S41467-018-04828-Y