Chlorine in PDB 4yk9: Complex Structure of Bcl-Xl and Mutated Bim BH3 Domain

The structure of Complex Structure of Bcl-Xl and Mutated Bim BH3 Domain, PDB code: 4yk9 was solved by N.C.Ha, J.S.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.63 / 1.70
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	81.738, 81.738, 42.568, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 22.8

The binding sites of Chlorine atom in the Complex Structure of Bcl-Xl and Mutated Bim BH3 Domain (pdb code 4yk9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Complex Structure of Bcl-Xl and Mutated Bim BH3 Domain, PDB code: 4yk9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Complex Structure of Bcl-Xl and Mutated Bim BH3 Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex Structure of Bcl-Xl and Mutated Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:41.6 occ:1.00 O A:HOH301 2.8 23.9 1.0 OD2 A:ASP107 2.9 14.1 1.0 OE2 B:GLU7 3.1 23.2 1.0 O F:HOH337 3.1 20.1 1.0 CE1 F:TYR22 3.6 11.8 1.0 CG A:ASP107 3.7 13.8 1.0 NE A:ARG103 3.8 14.4 1.0 OD1 A:ASP107 3.9 9.4 1.0 CD A:ARG103 4.0 7.8 1.0 CG A:ARG103 4.1 8.5 1.0 CD B:GLU7 4.2 17.1 1.0 OH F:TYR22 4.2 15.3 1.0 CZ2 B:TRP3 4.4 23.2 1.0 CZ F:TYR22 4.4 13.1 1.0 OE1 B:GLU7 4.5 17.8 1.0 CD1 F:TYR22 4.5 6.4 1.0 NH2 B:ARG11 4.8 12.4 1.0 CZ A:ARG103 4.9 7.6 1.0

Chlorine binding site 2 out of 3 in the Complex Structure of Bcl-Xl and Mutated Bim BH3 Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex Structure of Bcl-Xl and Mutated Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:52.5 occ:1.00 CG A:ARG132 3.3 23.8 1.0 CD A:ARG132 3.9 19.4 1.0 CZ B:ARG9 3.9 21.2 1.0 NH1 B:ARG9 4.0 20.0 1.0 CG A:ASP133 4.0 27.2 1.0 OD2 A:ASP133 4.1 31.8 1.0 NH2 B:ARG9 4.2 16.7 1.0 NE B:ARG9 4.2 14.1 1.0 OD1 A:ASP133 4.3 28.7 1.0 CB A:ASP133 4.4 15.1 1.0 CB A:ARG132 4.5 10.8 1.0 NE A:ARG132 4.7 11.1 1.0 CD B:ARG9 4.9 13.0 1.0 N A:ASP133 4.9 10.7 1.0

Chlorine binding site 3 out of 3 in the Complex Structure of Bcl-Xl and Mutated Bim BH3 Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Complex Structure of Bcl-Xl and Mutated Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl202 b:41.5 occ:1.00 OD2 F:ASP107 2.8 10.7 1.0 OE2 G:GLU7 3.2 22.7 1.0 CG F:ASP107 3.7 12.3 1.0 NE F:ARG103 3.7 15.7 1.0 OD1 F:ASP107 3.8 8.2 1.0 CD F:ARG103 3.9 7.4 1.0 CG F:ARG103 4.0 6.5 1.0 CD G:GLU7 4.2 23.1 1.0 CZ2 G:TRP3 4.2 24.7 1.0 OE1 G:GLU7 4.6 19.3 1.0 NH2 G:ARG11 4.8 15.3 1.0 CH2 G:TRP3 4.9 28.2 1.0 CZ F:ARG103 4.9 13.0 1.0

N.C.Ha, J.S.Kim. Complex Structure of Bcl-Xl and Mutated Bim BH3 Domain To Be Published.