Chlorine in PDB 4bpj: Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3

The structure of Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3, PDB code: 4bpj was solved by B.J.Smith, E.F.Lee, J.W.Checco, S.H.Gellman, W.D.Fairlie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.693 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.458, 60.260, 44.804, 90.00, 118.47, 90.00
R / Rfree (%)	19.93 / 23.01

The structure of Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3 also contains other interesting chemical elements:

Zinc

(Zn)

7 atoms

The binding sites of Chlorine atom in the Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3 (pdb code 4bpj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3, PDB code: 4bpj:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1328 b:57.2 occ:1.00 CB A:HIS252 3.9 25.1 1.0 CD2 A:HIS252 3.9 40.0 1.0 CG A:HIS252 4.0 32.2 1.0 CG2 D:ILE90 4.1 41.7 1.0 CB D:DAL91 4.2 18.8 1.0 N D:DAL91 4.3 19.7 1.0 CA D:DAL91 4.3 18.3 1.0 O A:ARG248 4.7 22.7 0.4 CA A:VAL249 4.7 19.1 1.0 CG2 A:VAL249 4.7 20.6 1.0 NE2 A:HIS252 4.9 43.5 1.0

Chlorine binding site 2 out of 4 in the Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1329 b:50.3 occ:0.50 CG2 A:THR301 3.9 24.4 1.0 CD1 A:ILE251 4.2 36.5 1.0 NH2 A:ARG300 4.8 59.6 1.0 NE A:ARG300 4.8 53.5 1.0 CG1 A:ILE251 4.8 29.0 1.0

Chlorine binding site 3 out of 4 in the Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1330 b:47.3 occ:1.00 CD A:ARG310 4.0 26.1 1.0 NE A:ARG310 4.7 26.4 1.0

Chlorine binding site 4 out of 4 in the Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mcl-1 Bound to Alpha Beta Puma BH3 Peptide 3 within 5.0Å range:

B.J.Smith, E.F.Lee, J.W.Checco, M.Evangelista, S.H.Gellman, W.D.Fairlie. Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity For Bcl-2 Family Prosurvival Proteins. Chembiochem V. 14 1564 2013.
ISSN: ISSN 1439-4227
PubMed: 23929624
DOI: 10.1002/CBIC.201300351