Chlorine in PDB 5o11: Crystal Structure of PIM1 Kinase in Complex with Small-Molecule Inhibitor

All present enzymatic activity of Crystal Structure of PIM1 Kinase in Complex with Small-Molecule Inhibitor:
2.7.11.1;

The structure of Crystal Structure of PIM1 Kinase in Complex with Small-Molecule Inhibitor, PDB code: 5o11 was solved by J.Bogusz, G.Dubin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.03 / 2.40
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	96.052, 96.052, 80.297, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 21.2

The binding sites of Chlorine atom in the Crystal Structure of PIM1 Kinase in Complex with Small-Molecule Inhibitor (pdb code 5o11). 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 Kinase in Complex with Small-Molecule Inhibitor, PDB code: 5o11:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of PIM1 Kinase in Complex with Small-Molecule Inhibitor


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 Kinase in Complex with Small-Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:76.3 occ:1.00 CL22 A:3NG401 0.0 76.3 1.0 C18 A:3NG401 1.8 64.0 1.0 C19 A:3NG401 2.7 70.0 1.0 C17 A:3NG401 2.8 59.2 1.0 N A:SER46 3.4 48.0 1.0 CA A:SER46 3.5 49.1 1.0 C A:GLY45 3.5 52.0 1.0 O A:GLY45 3.7 49.9 1.0 C A:SER46 3.7 49.7 1.0 CG2 A:VAL52 3.8 35.0 1.0 C2 A:GOL403 3.9 56.8 1.0 C1 A:GOL403 3.9 52.9 1.0 O A:HOH507 4.0 40.2 1.0 C20 A:3NG401 4.0 68.6 1.0 O A:SER46 4.1 43.6 1.0 C16 A:3NG401 4.1 52.5 1.0 CB A:VAL52 4.3 35.7 1.0 N A:GLY47 4.3 53.1 1.0 CA A:GLY45 4.3 57.0 1.0 C21 A:3NG401 4.5 61.0 1.0 N A:VAL52 4.6 42.0 1.0 O1 A:GOL403 4.6 51.0 1.0 O A:GLY50 4.7 53.9 1.0 O2 A:GOL403 4.8 69.1 1.0 C3 A:GOL403 4.9 63.1 1.0 CB A:SER46 5.0 47.2 1.0 N A:GLY45 5.0 59.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of PIM1 Kinase in Complex with Small-Molecule Inhibitor


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 Kinase in Complex with Small-Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:56.9 occ:1.00 O A:HOH548 3.0 43.4 1.0 NH1 A:ARG145 3.9 41.4 1.0 NH2 A:ARG145 4.1 43.9 1.0 N A:GLU142 4.1 32.7 1.0 CB A:GLU141 4.5 35.5 1.0 CB A:GLU142 4.5 35.9 1.0 CA A:GLU142 4.5 33.5 1.0 CZ A:ARG145 4.5 40.5 1.0 C A:GLU141 4.8 32.9 1.0

J.Bogusz, K.Zrubek, K.P.Rembacz, P.Grudnik, P.Golik, M.Romanowska, B.Wladyka, G.Dubin. Structural Analysis of PIM1 Kinase Complexes with Atp-Competitive Inhibitors. Sci Rep V. 7 13399 2017.
ISSN: ESSN 2045-2322
PubMed: 29042609
DOI: 10.1038/S41598-017-13557-Z