Calcium 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:

Bromine

(Br)

1 atom

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Rat TRPV6*-Y466A- in Complex with Brominated 2- Aminoethoxydiphenyl Borate (2-Apb-Br), PDB code: 6d7x:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 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 Calcium with other atoms in the Ca 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:Ca701 b:0.5 occ:0.25 OD1 A:ASP541 2.5 0.6 1.0 CG A:ASP541 3.6 0.0 1.0 O A:ILE539 3.8 1.0 1.0 OD2 A:ASP541 4.2 0.3 1.0 CA A:CA702 4.5 0.5 0.3 N A:ASP541 4.5 0.6 1.0 CA A:ASP541 4.6 0.8 1.0 CB A:ASP541 4.7 0.7 1.0 C A:ILE540 4.9 0.1 1.0

Calcium binding site 2 out of 2 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 Calcium with other atoms in the Ca binding site number 2 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:Ca702 b:0.5 occ:0.25 O A:THR538 3.6 0.5 1.0 CA A:CA701 4.5 0.5 0.3 C A:THR538 4.8 0.7 1.0 OG1 A:THR538 4.8 0.5 1.0 O A:ILE539 5.0 1.0 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