Chlorine in PDB 5kge: Crystal Structure of PIM1 with Inhibitor: 5-(3,4-Dichlorophenyl)- 1~{H}-Pyrazol-3-Amine

All present enzymatic activity of Crystal Structure of PIM1 with Inhibitor: 5-(3,4-Dichlorophenyl)- 1~{H}-Pyrazol-3-Amine:
2.7.11.1;

The structure of Crystal Structure of PIM1 with Inhibitor: 5-(3,4-Dichlorophenyl)- 1~{H}-Pyrazol-3-Amine, PDB code: 5kge 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)	58.19 / 2.23
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	96.860, 96.860, 80.783, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 20.8

The binding sites of Chlorine atom in the Crystal Structure of PIM1 with Inhibitor: 5-(3,4-Dichlorophenyl)- 1~{H}-Pyrazol-3-Amine (pdb code 5kge). 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: 5-(3,4-Dichlorophenyl)- 1~{H}-Pyrazol-3-Amine, PDB code: 5kge:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of PIM1 with Inhibitor: 5-(3,4-Dichlorophenyl)- 1~{H}-Pyrazol-3-Amine


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: 5-(3,4-Dichlorophenyl)- 1~{H}-Pyrazol-3-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl416 b:75.0 occ:1.00 CL1 A:6SN416 0.0 75.0 1.0 C2 A:6SN416 1.7 67.0 1.0 C1 A:6SN416 2.7 61.7 1.0 C3 A:6SN416 2.7 67.4 1.0 CL A:6SN416 3.2 73.1 1.0 CD1 A:LEU44 3.3 69.5 1.0 O A:HOH556 3.4 67.7 1.0 C A:6SN416 4.0 60.2 1.0 C4 A:6SN416 4.0 62.9 1.0 CB A:LEU44 4.3 66.4 1.0 CG A:LEU44 4.3 71.2 1.0 CD1 A:LEU174 4.4 40.1 1.0 C5 A:6SN416 4.5 60.9 1.0 CG1 A:VAL126 4.5 45.8 1.0 CD2 A:LEU174 4.7 39.8 1.0 CD2 A:LEU44 4.9 74.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of PIM1 with Inhibitor: 5-(3,4-Dichlorophenyl)- 1~{H}-Pyrazol-3-Amine


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: 5-(3,4-Dichlorophenyl)- 1~{H}-Pyrazol-3-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl416 b:73.1 occ:1.00 CL A:6SN416 0.0 73.1 1.0 C3 A:6SN416 1.7 67.4 1.0 C4 A:6SN416 2.7 62.9 1.0 C2 A:6SN416 2.7 67.0 1.0 CL1 A:6SN416 3.2 75.0 1.0 O A:GLU121 3.5 49.8 1.0 CB A:ALA65 3.6 40.4 1.0 CB A:ARG122 3.7 46.3 1.0 CD1 A:LEU174 3.7 40.1 1.0 CA A:ARG122 3.7 46.0 1.0 CG A:ARG122 3.8 54.2 1.0 CD A:PRO123 4.0 43.7 1.0 C5 A:6SN416 4.0 60.9 1.0 C1 A:6SN416 4.0 61.7 1.0 C A:GLU121 4.5 50.3 1.0 C A:6SN416 4.5 60.2 1.0 CD A:ARG122 4.5 52.9 1.0 CD1 A:ILE104 4.6 57.0 1.0 N A:ARG122 4.6 46.8 1.0 N A:PRO123 4.7 44.9 1.0 C A:ARG122 4.7 50.0 1.0 CD1 A:LEU44 4.9 69.5 1.0 CA A:ALA65 4.9 41.6 1.0

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