Bromine in PDB 5ii0: Crystal Structure of the Human Calcitonin Receptor Ectodomain in Complex with A Truncated Salmon Calcitonin Analogue

The structure of Crystal Structure of the Human Calcitonin Receptor Ectodomain in Complex with A Truncated Salmon Calcitonin Analogue, PDB code: 5ii0 was solved by E.Johansson, S.Reedtz-Runge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.84 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.558, 113.165, 55.424, 90.00, 114.79, 90.00
R / Rfree (%)	17 / 20.6

The structure of Crystal Structure of the Human Calcitonin Receptor Ectodomain in Complex with A Truncated Salmon Calcitonin Analogue also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Bromine atom in the Crystal Structure of the Human Calcitonin Receptor Ectodomain in Complex with A Truncated Salmon Calcitonin Analogue (pdb code 5ii0). 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 the Human Calcitonin Receptor Ectodomain in Complex with A Truncated Salmon Calcitonin Analogue, PDB code: 5ii0:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of the Human Calcitonin Receptor Ectodomain in Complex with A Truncated Salmon Calcitonin Analogue


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 Human Calcitonin Receptor Ectodomain in Complex with A Truncated Salmon Calcitonin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ D:Br22 b:0.6 occ:1.00 BR D:4BF22 0.0 0.6 1.0 CZ D:4BF22 1.9 93.1 1.0 CE2 D:4BF22 2.9 83.4 1.0 CE1 D:4BF22 2.9 82.1 1.0 CD2 A:LEU40 3.9 65.7 1.0 CD2 D:4BF22 4.2 74.6 1.0 CD1 D:4BF22 4.2 72.7 1.0 CG D:4BF22 4.7 67.4 1.0 CB A:PRO100 5.0 46.5 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of the Human Calcitonin Receptor Ectodomain in Complex with A Truncated Salmon Calcitonin Analogue


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 Human Calcitonin Receptor Ectodomain in Complex with A Truncated Salmon Calcitonin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ F:Br22 b:0.3 occ:1.00 BR F:4BF22 0.0 0.3 1.0 CZ F:4BF22 1.9 0.5 1.0 CE2 F:4BF22 2.9 0.3 1.0 CE1 F:4BF22 2.9 0.1 1.0 C C:PRO100 4.0 36.6 1.0 N C:ASP101 4.0 29.1 1.0 O C:PRO100 4.0 31.8 1.0 CB C:PRO100 4.0 43.0 1.0 CB C:ASP101 4.0 28.1 1.0 CA C:ASP101 4.1 32.0 1.0 CD2 F:4BF22 4.2 0.2 1.0 CD1 F:4BF22 4.2 1.0 1.0 CG C:PRO100 4.6 47.1 1.0 CA C:PRO100 4.7 36.4 1.0 CG F:4BF22 4.7 0.5 1.0

E.Johansson, J.L.Hansen, A.M.Hansen, A.C.Shaw, P.Becker, L.Schaffer, S.Reedtz-Runge. Type II Turn of Receptor-Bound Salmon Calcitonin Revealed By X-Ray Crystallography. J.Biol.Chem. V. 291 13689 2016.
ISSN: ESSN 1083-351X
PubMed: 27189946
DOI: 10.1074/JBC.M116.726034