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Ruthenium in PDB 4daw: Crystal Structure of PAK1 Kinase Domain with the Ruthenium Phthalimide Complex

Enzymatic activity of Crystal Structure of PAK1 Kinase Domain with the Ruthenium Phthalimide Complex

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

Protein crystallography data

The structure of Crystal Structure of PAK1 Kinase Domain with the Ruthenium Phthalimide Complex, PDB code: 4daw was solved by J.Maksimoska, R.Marmorstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.95 / 2.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 51.676, 103.549, 122.790, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 23.8

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the Crystal Structure of PAK1 Kinase Domain with the Ruthenium Phthalimide Complex (pdb code 4daw). 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 the Ruthenium Phthalimide Complex, PDB code: 4daw:

Ruthenium binding site 1 out of 1 in 4daw

Go back to Ruthenium Binding Sites List in 4daw
Ruthenium binding site 1 out of 1 in the Crystal Structure of PAK1 Kinase Domain with the Ruthenium Phthalimide Complex


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 the Ruthenium Phthalimide Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru601

b:27.8
occ:1.00
RU1 A:0H2601 0.0 27.8 1.0
N23 A:0H2601 2.1 27.2 1.0
N49 A:0H2601 2.2 27.7 1.0
C32 A:0H2601 2.3 27.4 1.0
S2 A:0H2601 2.3 28.1 1.0
S5 A:0H2601 2.4 26.8 1.0
S9 A:0H2601 2.4 27.5 1.0
C3 A:0H2601 3.0 28.0 1.0
C35 A:0H2601 3.0 27.5 1.0
C34 A:0H2601 3.0 27.4 1.0
C8 A:0H2601 3.1 27.8 1.0
C7 A:0H2601 3.1 27.7 1.0
C40 A:0H2601 3.2 27.5 1.0
C6 A:0H2601 3.2 26.8 1.0
C4 A:0H2601 3.2 27.5 1.0
C10 A:0H2601 3.2 27.9 1.0
C30 A:0H2601 3.3 27.5 1.0
C24 A:0H2601 3.5 30.1 1.0
C37 A:0H2601 4.3 27.6 1.0
C25 A:0H2601 4.4 27.3 1.0
C39 A:0H2601 4.5 27.5 1.0
C29 A:0H2601 4.5 27.6 1.0
CG2 A:VAL284 4.6 32.8 1.0
C38 A:0H2601 4.9 27.4 1.0
C26 A:0H2601 5.0 27.4 1.0

Reference:

S.Blanck, J.Maksimoska, J.Baumeister, K.Harms, R.Marmorstein, E.Meggers. The Art of Filling Protein Pockets Efficiently with Octahedral Metal Complexes. Angew.Chem.Int.Ed.Engl. V. 51 5244 2012.
ISSN: ISSN 1433-7851
PubMed: 22383326
DOI: 10.1002/ANIE.201108865
Page generated: Wed Dec 16 02:08:10 2020

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