Chlorine in PDB 1xa5: Structure of Calmodulin in Complex with Kar-2, A Bis-Indol Alkaloid

The structure of Structure of Calmodulin in Complex with Kar-2, A Bis-Indol Alkaloid, PDB code: 1xa5 was solved by I.Horvath, V.Harmat, E.Hlavanda, G.Naray-Szabo, J.Ovadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.12
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	37.573, 37.573, 356.662, 90.00, 90.00, 120.00
R / Rfree (%)	21.8 / 26.1

The structure of Structure of Calmodulin in Complex with Kar-2, A Bis-Indol Alkaloid also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the Structure of Calmodulin in Complex with Kar-2, A Bis-Indol Alkaloid (pdb code 1xa5). 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 Structure of Calmodulin in Complex with Kar-2, A Bis-Indol Alkaloid, PDB code: 1xa5:

Chlorine binding site 1 out of 1 in the Structure of Calmodulin in Complex with Kar-2, A Bis-Indol Alkaloid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Calmodulin in Complex with Kar-2, A Bis-Indol Alkaloid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl153 b:42.5 occ:1.00 CL1 A:KAR153 0.0 42.5 1.0 C30 A:KAR153 1.8 40.0 1.0 C19 A:KAR153 2.7 39.4 1.0 N85 A:KAR153 3.3 37.9 1.0 CE A:MET109 3.5 24.1 1.0 SD A:MET109 3.5 24.7 1.0 C83 A:KAR153 3.8 37.8 1.0 O4 A:KAR153 3.9 38.8 1.0 C25 A:KAR153 4.0 35.3 1.0 CD A:GLU114 4.0 30.6 1.0 C17 A:KAR153 4.1 34.5 1.0 C24 A:KAR153 4.1 38.3 1.0 CG A:GLU114 4.1 30.7 1.0 OE2 A:GLU114 4.2 28.8 1.0 SD A:MET124 4.3 26.9 1.0 OE1 A:GLU114 4.4 31.4 1.0 N24 A:KAR153 4.4 36.0 1.0 C16 A:KAR153 4.4 35.0 1.0 O3 A:KAR153 4.5 38.5 1.0 CG A:MET109 4.5 23.8 1.0 C20 A:KAR153 4.6 36.8 1.0 CE A:MET124 4.8 27.3 1.0 CD2 A:LEU116 4.8 24.5 1.0 CB A:GLU114 4.8 30.2 1.0 O A:HOH172 4.8 32.7 1.0 CD1 A:LEU116 4.9 24.8 1.0 C26 A:KAR153 4.9 37.2 1.0 C18 A:KAR153 4.9 35.1 1.0 O A:HOH180 5.0 30.3 1.0 O61 A:KAR153 5.0 38.7 1.0

I.Horvath, V.Harmat, A.Perczel, V.Palfi, L.Nyitrai, A.Nagy, E.Hlavanda, G.Naray-Szabo, J.Ovadi. The Structure of the Complex of Calmodulin with Kar-2: A Novel Mode of Binding Explains the Unique Pharmacology of the Drug J.Biol.Chem. V. 280 8266 2005.
ISSN: ISSN 0021-9258
PubMed: 15596444
DOI: 10.1074/JBC.M410353200