Chlorine in PDB 3kj1: Mcl-1 in Complex with Bim BH3 Mutant I2DA

The structure of Mcl-1 in Complex with Bim BH3 Mutant I2DA, PDB code: 3kj1 was solved by E.Fire, R.A.Grant, A.E.Keating, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.89 / 1.95
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	53.066, 72.007, 117.845, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 21.3

The structure of Mcl-1 in Complex with Bim BH3 Mutant I2DA also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Chlorine atom in the Mcl-1 in Complex with Bim BH3 Mutant I2DA (pdb code 3kj1). 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 Mcl-1 in Complex with Bim BH3 Mutant I2DA, PDB code: 3kj1:

Chlorine binding site 1 out of 1 in the Mcl-1 in Complex with Bim BH3 Mutant I2DA


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mcl-1 in Complex with Bim BH3 Mutant I2DA within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl328 b:45.3 occ:0.50 NH1 A:ARG300 3.3 36.3 1.0 NH2 A:ARG300 3.5 43.4 1.0 CZ A:ARG300 3.8 41.7 1.0 CD1 A:ILE251 4.0 36.5 1.0 CG2 A:THR301 4.1 34.2 1.0 CG1 A:ILE251 4.6 32.2 1.0

E.Fire, S.V.Gulla, R.A.Grant, A.E.Keating. Mcl-1-Bim Complexes Accommodate Surprising Point Mutations Via Minor Structural Changes. Protein Sci. V. 19 507 2010.
ISSN: ISSN 0961-8368
PubMed: 20066663
DOI: 10.1002/PRO.329