Bromine in PDB 7d2k: Crystal Structure of Rat TRPV6 in Complex with (4- Phenylcyclohexyl) Piperazine Inhibitor Br-Cis-22A

The structure of Crystal Structure of Rat TRPV6 in Complex with (4- Phenylcyclohexyl) Piperazine Inhibitor Br-Cis-22A, PDB code: 7d2k was solved by A.K.Singh, A.Neuberger, K.D.Nadezhdin, A.I.Sbolevsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.12 / 3.70
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	146.228, 146.228, 114.648, 90, 90, 90
R / Rfree (%)	31.6 / 32.7

The structure of Crystal Structure of Rat TRPV6 in Complex with (4- Phenylcyclohexyl) Piperazine Inhibitor Br-Cis-22A also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Bromine atom in the Crystal Structure of Rat TRPV6 in Complex with (4- Phenylcyclohexyl) Piperazine Inhibitor Br-Cis-22A (pdb code 7d2k). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Rat TRPV6 in Complex with (4- Phenylcyclohexyl) Piperazine Inhibitor Br-Cis-22A, PDB code: 7d2k:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Rat TRPV6 in Complex with (4- Phenylcyclohexyl) Piperazine Inhibitor Br-Cis-22A


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 in Complex with (4- Phenylcyclohexyl) Piperazine Inhibitor Br-Cis-22A within 5.0Å range: probe atom residue distance (Å) B Occ A:Br702 b:157.6 occ:1.00 BR2 A:GQC702 0.0 157.6 1.0 C22 A:GQC702 1.9 149.6 1.0 C21 A:GQC702 2.9 150.0 1.0 C23 A:GQC702 2.9 148.2 1.0 N24 A:GQC702 4.2 150.4 1.0 C20 A:GQC702 4.2 148.5 1.0 C25 A:GQC702 4.7 147.7 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Rat TRPV6 in Complex with (4- Phenylcyclohexyl) Piperazine Inhibitor Br-Cis-22A


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 Rat TRPV6 in Complex with (4- Phenylcyclohexyl) Piperazine Inhibitor Br-Cis-22A within 5.0Å range: probe atom residue distance (Å) B Occ A:Br703 b:20.0 occ:0.25 BR2 A:GQC703 0.0 20.0 0.2 C22 A:GQC703 2.0 20.0 0.2 C23 A:GQC703 2.9 20.0 0.2 C21 A:GQC703 2.9 20.0 0.2 N24 A:GQC703 4.2 20.0 0.2 C20 A:GQC703 4.2 20.0 0.2 C25 A:GQC703 4.7 20.0 0.2

A.K.Singh, A.Neuberger, K.D.Nadezhdin, A.I.Sbolevsky. Crystal Structure of Rat TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor Br-Cis-22A To Be Published.