Chlorine in PDB 5kgi: Crystal Structure of PIM1 with Inhibitor 2-[3,4-Bis(Chloranyl) Phenoxy]Ethanamine

All present enzymatic activity of Crystal Structure of PIM1 with Inhibitor 2-[3,4-Bis(Chloranyl) Phenoxy]Ethanamine:
2.7.11.1;

The structure of Crystal Structure of PIM1 with Inhibitor 2-[3,4-Bis(Chloranyl) Phenoxy]Ethanamine, PDB code: 5kgi was solved by A.D.Ferguson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.73 / 2.13
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	97.782, 97.782, 81.518, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 18.6

The binding sites of Chlorine atom in the Crystal Structure of PIM1 with Inhibitor 2-[3,4-Bis(Chloranyl) Phenoxy]Ethanamine (pdb code 5kgi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of PIM1 with Inhibitor 2-[3,4-Bis(Chloranyl) Phenoxy]Ethanamine, PDB code: 5kgi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of PIM1 with Inhibitor 2-[3,4-Bis(Chloranyl) Phenoxy]Ethanamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of PIM1 with Inhibitor 2-[3,4-Bis(Chloranyl) Phenoxy]Ethanamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl414 b:56.2 occ:1.00 CL1 A:6SF414 0.0 56.2 1.0 C2 A:6SF414 1.7 52.3 1.0 C1 A:6SF414 2.7 50.2 1.0 C3 A:6SF414 2.7 56.0 1.0 O A:GLU121 2.7 53.6 1.0 CL A:6SF414 3.2 65.0 1.0 CB A:ALA65 3.5 40.1 1.0 CD1 A:ILE104 3.7 55.7 1.0 C A:GLU121 3.8 53.4 1.0 CA A:ARG122 3.9 46.6 1.0 CD1 A:LEU174 3.9 41.7 1.0 C A:6SF414 4.0 50.9 1.0 C4 A:6SF414 4.0 52.5 1.0 CG2 A:ILE104 4.0 52.2 1.0 CB A:ARG122 4.1 46.8 1.0 CD A:PRO123 4.2 46.0 1.0 CG1 A:ILE104 4.3 52.6 1.0 N A:ARG122 4.3 47.8 1.0 CB A:LEU120 4.4 39.9 1.0 C5 A:6SF414 4.5 53.6 1.0 CG A:ARG122 4.6 49.8 1.0 CA A:ALA65 4.8 41.4 1.0 CB A:ILE104 4.8 50.5 1.0 C A:LEU120 4.9 47.9 1.0 O A:LEU120 4.9 46.8 1.0 N A:ALA65 5.0 42.2 1.0 N A:GLU121 5.0 48.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of PIM1 with Inhibitor 2-[3,4-Bis(Chloranyl) Phenoxy]Ethanamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of PIM1 with Inhibitor 2-[3,4-Bis(Chloranyl) Phenoxy]Ethanamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl414 b:65.0 occ:1.00 CL A:6SF414 0.0 65.0 1.0 C3 A:6SF414 1.7 56.0 1.0 C4 A:6SF414 2.7 52.5 1.0 C2 A:6SF414 2.7 52.3 1.0 CL1 A:6SF414 3.2 56.2 1.0 CG A:ARG122 3.7 49.8 1.0 CD1 A:LEU44 3.8 53.3 1.0 CD1 A:LEU174 3.8 41.7 1.0 C5 A:6SF414 4.0 53.6 1.0 C1 A:6SF414 4.0 50.2 1.0 CD A:ARG122 4.1 53.1 1.0 CG1 A:VAL126 4.2 44.6 1.0 CB A:ARG122 4.4 46.8 1.0 CB A:ALA65 4.5 40.1 1.0 O A:HOH608 4.5 52.7 1.0 C A:6SF414 4.5 50.9 1.0 CD A:PRO123 4.6 46.0 1.0 CA A:ARG122 4.7 46.6 1.0 CD2 A:LEU174 4.9 42.1 1.0 CG2 A:VAL126 4.9 41.8 1.0 O A:HOH609 5.0 76.3 1.0

A.D.Ferguson, A.D.Ferguson. N/A N/A.