Chlorine 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
Bromine	(Br)	1 atom
Calcium	(Ca)	4 atoms

The binding sites of Chlorine atom in the Calmodulin in Complex with Isomalbrancheamide D (pdb code 6o5g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Calmodulin in Complex with Isomalbrancheamide D, PDB code: 6o5g:

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Calmodulin in Complex with Isomalbrancheamide D within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:51.2 occ:0.85 CL08 A:LMJ201 0.0 51.2 0.8 C07 A:LMJ201 1.7 52.4 0.8 C02 A:LMJ201 2.7 66.4 0.8 C06 A:LMJ201 2.7 43.1 0.8 BR01 A:LMJ201 3.1 83.7 0.8 CD1 A:ILE101 3.6 29.3 1.0 CD1 A:LEU106 3.8 24.3 1.0 CE1 A:PHE142 3.9 31.6 1.0 CD1 A:PHE142 3.9 32.9 1.0 C03 A:LMJ201 4.0 54.7 0.8 C05 A:LMJ201 4.0 47.4 0.8 CG2 A:ILE101 4.1 20.8 1.0 CD2 A:LEU106 4.5 32.8 1.0 CB A:ILE101 4.5 29.6 1.0 C04 A:LMJ201 4.5 44.7 0.8 CE A:MET145 4.5 52.2 1.0 CG A:LEU106 4.6 27.0 1.0 CG1 A:ILE101 4.6 26.3 1.0 CG A:PHE93 4.7 29.3 1.0 CG1 A:VAL137 4.8 30.4 1.0 CD2 A:PHE93 4.9 33.2 1.0 CB A:LEU106 4.9 24.9 1.0 CB A:PHE93 4.9 24.5 1.0 CD1 A:PHE93 4.9 25.0 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