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Chlorine in PDB 8r0q: PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide

Enzymatic activity of PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide

All present enzymatic activity of PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide:
2.7.11.1;

Protein crystallography data

The structure of PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide, PDB code: 8r0q was solved by P.M.M.Hochban, A.Heine, W.E.Diederich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.66 / 1.70
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 97.221, 97.221, 80.836, 90, 90, 120
R / Rfree (%) 16.5 / 17.7

Other elements in 8r0q:

The structure of PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide also contains other interesting chemical elements:

Bromine (Br) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide (pdb code 8r0q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide, PDB code: 8r0q:

Chlorine binding site 1 out of 1 in 8r0q

Go back to Chlorine Binding Sites List in 8r0q
Chlorine binding site 1 out of 1 in the PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:33.0
occ:1.00
 O A:HOH535 3.1 31.0 1.0
N3 A:XGB402 3.2 34.0 1.0
NZ A:LYS67 3.3 31.9 1.0
N A:ASP186 3.3 28.8 1.0
CD1 A:LEU120 3.7 36.9 1.0
OD1 A:ASP186 3.7 33.3 1.0
CB A:ILE185 3.8 25.8 1.0
C4 A:XGB402 3.9 30.9 1.0
C5 A:XGB402 3.9 32.5 1.0
CE A:LYS67 4.0 36.9 1.0
CA A:ASP186 4.0 27.1 1.0
CD2 A:LEU120 4.1 34.0 1.0
CG2 A:ILE104 4.1 32.1 1.0
CA A:ILE185 4.1 26.7 1.0
C A:ILE185 4.2 28.4 1.0
CG2 A:ILE185 4.2 29.3 1.0
C2 A:XGB402 4.3 29.5 1.0
CG A:LEU120 4.4 40.8 1.0
CD A:LYS67 4.5 35.1 1.0
OE2 A:GLU89 4.6 35.9 1.0
CG A:ASP186 4.7 35.0 1.0
N1 A:XGB402 4.7 36.0 1.0
CG1 A:ILE104 4.9 33.0 1.0
CB A:ILE104 4.9 30.6 1.0
CB A:ASP186 5.0 28.3 1.0
N A:PHE187 5.0 28.4 1.0

Reference:

P.M.M.Hochban, D.Hubach, A.Heine, W.E.Diederich. PIM1 in Complex with 6-Bromo-1H-Benzo[D]Imidazol-2-Amine and Pimtide To Be Published.
Page generated: Wed Nov 27 17:06:53 2024

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