Chlorine in PDB 5kgg: Crystal Structure of PIM1 with Inhibitor: 2-(5-Chloranyl-1~{H}-Indol- 3-Yl)Ethanamine

All present enzymatic activity of Crystal Structure of PIM1 with Inhibitor: 2-(5-Chloranyl-1~{H}-Indol- 3-Yl)Ethanamine:
2.7.11.1;

The structure of Crystal Structure of PIM1 with Inhibitor: 2-(5-Chloranyl-1~{H}-Indol- 3-Yl)Ethanamine, PDB code: 5kgg 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)	24.97 / 1.95
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	96.446, 96.446, 81.615, 90.00, 90.00, 120.00
R / Rfree (%)	15.9 / 17

The binding sites of Chlorine atom in the Crystal Structure of PIM1 with Inhibitor: 2-(5-Chloranyl-1~{H}-Indol- 3-Yl)Ethanamine (pdb code 5kgg). 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-(5-Chloranyl-1~{H}-Indol- 3-Yl)Ethanamine, PDB code: 5kgg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of PIM1 with Inhibitor: 2-(5-Chloranyl-1~{H}-Indol- 3-Yl)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-(5-Chloranyl-1~{H}-Indol- 3-Yl)Ethanamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:29.2 occ:1.00 O A:HOH525 3.1 22.7 1.0 N A:ASP186 3.2 19.5 1.0 OD1 A:ASP186 3.5 30.2 1.0 N1 A:6SO423 3.5 21.2 1.0 NZ A:LYS67 3.5 33.6 1.0 CD1 A:LEU120 3.7 28.4 1.0 CB A:ILE185 3.8 20.3 1.0 CA A:ASP186 3.9 19.2 1.0 C2 A:6SO423 4.0 20.2 1.0 CG2 A:ILE104 4.1 26.2 1.0 C3 A:6SO423 4.1 20.8 1.0 CA A:ILE185 4.1 18.4 1.0 CE A:LYS67 4.1 38.3 1.0 C A:ILE185 4.2 22.4 1.0 CD2 A:LEU120 4.2 25.4 1.0 CG2 A:ILE185 4.3 23.1 1.0 CD A:LYS67 4.4 30.7 1.0 CG A:ASP186 4.4 31.2 1.0 OE2 A:GLU89 4.4 26.3 1.0 CG A:LEU120 4.5 28.0 1.0 C8 A:6SO423 4.7 22.7 1.0 CB A:ASP186 4.8 20.0 1.0 CG1 A:ILE104 4.9 26.4 1.0 CG1 A:ILE185 4.9 17.9 1.0 CB A:ILE104 5.0 25.6 1.0 N A:PHE187 5.0 20.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of PIM1 with Inhibitor: 2-(5-Chloranyl-1~{H}-Indol- 3-Yl)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-(5-Chloranyl-1~{H}-Indol- 3-Yl)Ethanamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl423 b:28.6 occ:1.00 CL A:6SO423 0.0 28.6 1.0 C6 A:6SO423 1.7 22.4 1.0 C5 A:6SO423 2.7 22.1 1.0 C1 A:6SO423 2.7 22.1 1.0 CG A:ARG122 3.7 26.7 1.0 CD1 A:LEU174 3.8 26.0 1.0 CB A:ALA65 4.0 22.4 1.0 CD1 A:LEU44 4.0 25.8 1.0 C2 A:6SO423 4.0 20.2 1.0 C4 A:6SO423 4.0 21.8 1.0 CB A:ARG122 4.1 26.1 1.0 CD A:ARG122 4.2 28.0 1.0 C2 A:EDO403 4.2 39.8 1.0 CA A:ARG122 4.3 25.7 1.0 CD A:PRO123 4.3 24.6 1.0 CG1 A:VAL126 4.4 25.6 1.0 C3 A:6SO423 4.5 20.8 1.0 C1 A:EDO403 4.5 37.1 1.0 O A:GLU121 4.6 31.3 1.0 CD2 A:LEU174 4.9 24.6 1.0 CG2 A:VAL126 5.0 23.0 1.0

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