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Chlorine in PDB 5n50: Crystal Structure of Human Pim-1 Kinase in Complex with A Consensus Peptide and Fragment Like Molecule 2-(4-Chlorophenyl) Sulfanylacetohydrazide

Enzymatic activity of Crystal Structure of Human Pim-1 Kinase in Complex with A Consensus Peptide and Fragment Like Molecule 2-(4-Chlorophenyl) Sulfanylacetohydrazide

All present enzymatic activity of Crystal Structure of Human Pim-1 Kinase in Complex with A Consensus Peptide and Fragment Like Molecule 2-(4-Chlorophenyl) Sulfanylacetohydrazide:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human Pim-1 Kinase in Complex with A Consensus Peptide and Fragment Like Molecule 2-(4-Chlorophenyl) Sulfanylacetohydrazide, PDB code: 5n50 was solved by C.Siefker, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.95 / 1.92
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 98.315, 98.315, 80.504, 90.00, 90.00, 120.00
R / Rfree (%) 15.8 / 18

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Pim-1 Kinase in Complex with A Consensus Peptide and Fragment Like Molecule 2-(4-Chlorophenyl) Sulfanylacetohydrazide (pdb code 5n50). 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 Crystal Structure of Human Pim-1 Kinase in Complex with A Consensus Peptide and Fragment Like Molecule 2-(4-Chlorophenyl) Sulfanylacetohydrazide, PDB code: 5n50:

Chlorine binding site 1 out of 1 in 5n50

Go back to Chlorine Binding Sites List in 5n50
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Pim-1 Kinase in Complex with A Consensus Peptide and Fragment Like Molecule 2-(4-Chlorophenyl) Sulfanylacetohydrazide


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 Human Pim-1 Kinase in Complex with A Consensus Peptide and Fragment Like Molecule 2-(4-Chlorophenyl) Sulfanylacetohydrazide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:49.8
occ:1.00
 CL A:8MN401 0.0 49.8 1.0
C2 A:8MN401 1.7 44.8 1.0
C1 A:8MN401 2.7 38.9 1.0
C3 A:8MN401 2.7 37.6 1.0
CG A:ARG122 3.7 42.8 1.0
CD1 A:LEU174 3.7 41.7 1.0
C A:8MN401 4.0 41.5 1.0
C4 A:8MN401 4.0 40.1 1.0
CD A:PRO123 4.1 45.6 1.0
CA A:ARG122 4.2 43.2 1.0
CD A:ARG122 4.2 41.7 1.0
CB A:ARG122 4.2 39.6 1.0
CD1 A:LEU44 4.2 45.0 1.0
CB A:ALA65 4.3 31.6 1.0
O A:GLU121 4.5 36.2 1.0
C5 A:8MN401 4.5 44.0 1.0
CG1 A:VAL126 4.6 38.5 1.0
N A:PRO123 4.8 45.9 1.0
O A:HOH674 4.8 50.0 1.0
C A:ARG122 4.9 41.2 1.0
CG2 A:VAL126 5.0 35.4 1.0

Reference:

C.Siefker, A.Heine, K.Hardes, A.Steinmetzer, G.Klebe. A Crystallographic Fragment Study with Human Pim-1 Kinase To Be Published.
Page generated: Sat Dec 12 12:08:25 2020

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