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Ruthenium in PDB 3fy0: Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex DW1

Enzymatic activity of Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex DW1

All present enzymatic activity of Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex DW1:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex DW1, PDB code: 3fy0 was solved by J.Maksimoska, R.Marmorstein, E.Meggers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.14 / 2.35
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 53.050, 102.660, 122.341, 90.00, 90.00, 90.00
R / Rfree (%) 20.2 / 26

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex DW1 (pdb code 3fy0). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total only one binding site of Ruthenium was determined in the Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex DW1, PDB code: 3fy0:

Ruthenium binding site 1 out of 1 in 3fy0

Go back to Ruthenium Binding Sites List in 3fy0
Ruthenium binding site 1 out of 1 in the Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex DW1


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Crystal Structure of PAK1 Kinase Domain with Ruthenium Complex DW1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru200

b:50.0
occ:1.00
RU A:DW1200 0.0 50.0 1.0
C10 A:DW1200 1.9 49.8 1.0
N18 A:DW1200 2.1 50.1 1.0
N20 A:DW1200 2.2 50.2 1.0
C13 A:DW1200 2.2 51.3 1.0
C12 A:DW1200 2.2 51.0 1.0
C14 A:DW1200 2.2 50.5 1.0
C17 A:DW1200 2.2 50.5 1.0
C16 A:DW1200 2.2 50.1 1.0
C21 A:DW1200 2.9 49.9 1.0
C7 A:DW1200 3.0 50.0 1.0
O11 A:DW1200 3.0 49.7 1.0
C6 A:DW1200 3.2 49.9 1.0
C22 A:DW1200 3.2 50.0 1.0
C23 A:DW1200 3.8 50.0 1.0
O A:HOH82 4.2 61.4 1.0
C28 A:DW1200 4.2 49.8 1.0
C27 A:DW1200 4.3 49.8 1.0
C3 A:DW1200 4.4 49.9 1.0
C5 A:DW1200 4.5 49.8 1.0
C4 A:DW1200 5.0 49.7 1.0

Reference:

J.Maksimoska, L.Feng, K.Harms, C.Yi, J.Kissil, R.Marmorstein, E.Meggers. Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes J.Am.Chem.Soc. V. 130 15764 2008.
ISSN: ISSN 0002-7863
PubMed: 18973295
Page generated: Wed Dec 16 02:08:01 2020

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