Bromine in PDB 6o5g: Calmodulin in Complex with Isomalbrancheamide D

The structure of Calmodulin in Complex with Isomalbrancheamide D, PDB code: 6o5g was solved by T.S.Beyett, A.E.Fraley, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.88 / 1.89
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	50.858, 56.754, 117.168, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.6

The structure of Calmodulin in Complex with Isomalbrancheamide D also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Calcium	(Ca)	4 atoms
Chlorine	(Cl)	1 atom

The binding sites of Bromine atom in the Calmodulin in Complex with Isomalbrancheamide D (pdb code 6o5g). 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 Calmodulin in Complex with Isomalbrancheamide D, PDB code: 6o5g:

Bromine binding site 1 out of 1 in the Calmodulin in Complex with Isomalbrancheamide D


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Calmodulin in Complex with Isomalbrancheamide D within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:83.7 occ:0.85 BR01 A:LMJ201 0.0 83.7 0.8 C02 A:LMJ201 1.9 66.4 0.8 C07 A:LMJ201 2.8 52.4 0.8 C03 A:LMJ201 2.9 54.7 0.8 CL08 A:LMJ201 3.1 51.2 0.8 O A:MET125 3.6 39.7 1.0 CB A:ALA129 3.8 39.8 1.0 CD2 A:LEU106 3.9 32.8 1.0 C A:MET125 4.1 44.5 1.0 CG2 A:VAL137 4.1 26.1 1.0 C06 A:LMJ201 4.1 43.1 0.8 C04 A:LMJ201 4.2 44.7 0.8 CB A:MET125 4.4 44.3 1.0 N A:ILE126 4.5 36.9 1.0 CA A:ILE126 4.5 36.4 1.0 CD1 A:ILE126 4.6 36.4 1.0 C05 A:LMJ201 4.7 47.4 0.8 CE A:MET145 4.7 52.2 1.0 CG1 A:VAL137 4.8 30.4 1.0 CA A:MET125 4.8 43.8 1.0 CG A:MET145 4.8 55.3 1.0 CB A:VAL137 4.9 29.0 1.0 CD1 A:LEU106 4.9 24.3 1.0 CG A:LEU106 5.0 27.0 1.0

T.S.Beyett, A.E.Fraley, E.Labudde, D.Patra, R.C.Coleman, A.Eguchi, A.Glukhova, Q.Chen, R.M.Williams, W.J.Koch, D.H.Sherman, J.J.G.Tesmer. Perturbation of the Interactions of Calmodulin with GRK5 Using A Natural Product Chemical Probe. Proc.Natl.Acad.Sci.Usa V. 116 15895 2019.
ISSN: ESSN 1091-6490
PubMed: 31337679
DOI: 10.1073/PNAS.1818547116