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Fluorine in PDB 2yak: Structure of Death-Associated Protein Kinase 1 (DAPK1) in Complex with A Ruthenium Octasporine Ligand (Osv)

Enzymatic activity of Structure of Death-Associated Protein Kinase 1 (DAPK1) in Complex with A Ruthenium Octasporine Ligand (Osv)

All present enzymatic activity of Structure of Death-Associated Protein Kinase 1 (DAPK1) in Complex with A Ruthenium Octasporine Ligand (Osv):
2.7.11.1;

Protein crystallography data

The structure of Structure of Death-Associated Protein Kinase 1 (DAPK1) in Complex with A Ruthenium Octasporine Ligand (Osv), PDB code: 2yak was solved by L.Feng, Y.Geisselbrecht, S.Blanck, A.Wilbuer, G.E.Atilla-Gokcumen, P.Filippakopoulos, K.Kraeling, M.A.Celik, K.Harms, J.Maksimoska, R.Marmorstein, G.Frenking, S.Knapp, L.-O.Essen, E.Meggers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.53 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.300, 77.800, 111.300, 90.00, 90.00, 90.00
R / Rfree (%) 19.842 / 26.043

Other elements in 2yak:

The structure of Structure of Death-Associated Protein Kinase 1 (DAPK1) in Complex with A Ruthenium Octasporine Ligand (Osv) also contains other interesting chemical elements:

Ruthenium (Ru) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Death-Associated Protein Kinase 1 (DAPK1) in Complex with A Ruthenium Octasporine Ligand (Osv) (pdb code 2yak). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structure of Death-Associated Protein Kinase 1 (DAPK1) in Complex with A Ruthenium Octasporine Ligand (Osv), PDB code: 2yak:

Fluorine binding site 1 out of 1 in 2yak

Go back to Fluorine Binding Sites List in 2yak
Fluorine binding site 1 out of 1 in the Structure of Death-Associated Protein Kinase 1 (DAPK1) in Complex with A Ruthenium Octasporine Ligand (Osv)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Death-Associated Protein Kinase 1 (DAPK1) in Complex with A Ruthenium Octasporine Ligand (Osv) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1279

b:41.1
occ:1.00
 F1 A:OSV1279 0.0 41.1 1.0
CAO A:OSV1279 1.3 35.9 1.0
CAH A:OSV1279 2.4 31.4 1.0
CAI A:OSV1279 2.4 31.8 1.0
O A:HOH2041 3.3 43.4 1.0
CB A:LEU19 3.3 34.6 1.0
NAK A:OSV1279 3.7 26.5 1.0
CAU A:OSV1279 3.7 26.2 1.0
O A:LEU19 3.8 33.9 1.0
C A:LEU19 4.1 33.8 1.0
CD1 A:LEU19 4.1 37.9 1.0
CG A:LEU19 4.1 36.2 1.0
CA A:LEU19 4.1 35.4 1.0
CAV A:OSV1279 4.1 26.0 1.0
CD2 A:LEU19 4.4 35.4 1.0
CE A:MET146 4.7 25.2 1.0
O A:VAL96 4.7 32.9 1.0
CAX A:OSV1279 4.9 29.8 1.0
N A:GLY20 4.9 31.1 1.0
OAC A:OSV1279 5.0 31.7 1.0

Reference:

L.Feng, Y.Geisselbrecht, S.Blanck, A.Wilbuer, G.E.Atilla-Gokcumen, P.Filippakopoulos, K.Kraeling, M.A.Celik, K.Harms, J.Maksimoska, R.Marmorstein, G.Frenking, S.Knapp, L.O.Essen, E.Meggers. Structurally Sophisticated Octahedral Metal Complexes As Highly Selective Protein Kinase Inhibitors. J.Am.Chem.Soc. V. 133 5976 2011.
ISSN: ISSN 0002-7863
PubMed: 21446733
DOI: 10.1021/JA1112996
Page generated: Wed Jul 31 16:50:35 2024

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