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Chlorine in PDB 3qf9: Crystal Structure of Human Proto-Oncogene Serine Threonine Kinase (PIM1) in Complex with A Consensus Peptide and A Furan- Thiazolidinedione Ligand

Enzymatic activity of Crystal Structure of Human Proto-Oncogene Serine Threonine Kinase (PIM1) in Complex with A Consensus Peptide and A Furan- Thiazolidinedione Ligand

All present enzymatic activity of Crystal Structure of Human Proto-Oncogene Serine Threonine Kinase (PIM1) in Complex with A Consensus Peptide and A Furan- Thiazolidinedione Ligand:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human Proto-Oncogene Serine Threonine Kinase (PIM1) in Complex with A Consensus Peptide and A Furan- Thiazolidinedione Ligand, PDB code: 3qf9 was solved by P.Filippakopoulos, A.N.Bullock, O.Fedorov, C.V.Miduturu, F.Von Delft, C.H.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, N.Grey, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.48 / 2.20
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 97.843, 97.843, 80.428, 90.00, 90.00, 120.00
R / Rfree (%) 18.6 / 22.7

Other elements in 3qf9:

The structure of Crystal Structure of Human Proto-Oncogene Serine Threonine Kinase (PIM1) in Complex with A Consensus Peptide and A Furan- Thiazolidinedione Ligand also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Proto-Oncogene Serine Threonine Kinase (PIM1) in Complex with A Consensus Peptide and A Furan- Thiazolidinedione Ligand (pdb code 3qf9). 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 Proto-Oncogene Serine Threonine Kinase (PIM1) in Complex with A Consensus Peptide and A Furan- Thiazolidinedione Ligand, PDB code: 3qf9:

Chlorine binding site 1 out of 1 in 3qf9

Go back to Chlorine Binding Sites List in 3qf9
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Proto-Oncogene Serine Threonine Kinase (PIM1) in Complex with A Consensus Peptide and A Furan- Thiazolidinedione Ligand


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 Proto-Oncogene Serine Threonine Kinase (PIM1) in Complex with A Consensus Peptide and A Furan- Thiazolidinedione Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl315

b:37.7
occ:1.00
 NH1 A:ARG205 3.2 41.3 1.0
NE1 A:TRP212 3.2 38.3 1.0
CG A:ARG205 3.7 37.1 1.0
CB A:ARG205 3.8 34.7 1.0
CD A:ARG205 3.9 39.4 1.0
CD2 A:PHE201 4.0 39.2 1.0
CE2 A:TRP212 4.1 29.8 1.0
CE2 A:PHE201 4.2 33.7 1.0
CD1 A:TRP212 4.2 40.2 1.0
CZ A:ARG205 4.2 39.3 1.0
CZ2 A:TRP212 4.3 36.9 1.0
CA A:ARG205 4.3 33.0 1.0
NE A:ARG205 4.5 34.1 1.0
N A:ARG205 4.8 29.6 1.0
O A:HOH402 4.9 44.4 1.0
O A:PHE201 5.0 43.8 1.0

Reference:

P.Filippakopoulos, A.N.Bullock, O.Fedorov, C.V.Miduturu, F.Von Delft, C.H.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, N.Grey, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of Human Proto-Oncogene Serine Threonine Kinase (PIM1) in Complex with A Consensus Peptide and A Furan-Thiazolidinedione Ligand To Be Published.
Page generated: Sun Jul 21 02:53:12 2024

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