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Ruthenium in PDB 3dd3: Crystal Structure of the Glutathione Transferase Pi Enzyme in Complex with the Bifunctional Inhibitor, Etharapta

Enzymatic activity of Crystal Structure of the Glutathione Transferase Pi Enzyme in Complex with the Bifunctional Inhibitor, Etharapta

All present enzymatic activity of Crystal Structure of the Glutathione Transferase Pi Enzyme in Complex with the Bifunctional Inhibitor, Etharapta:
2.5.1.18;

Protein crystallography data

The structure of Crystal Structure of the Glutathione Transferase Pi Enzyme in Complex with the Bifunctional Inhibitor, Etharapta, PDB code: 3dd3 was solved by L.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 68.36 / 2.25
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 76.690, 89.540, 68.990, 90.00, 97.81, 90.00
R / Rfree (%) 20 / 26

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the Crystal Structure of the Glutathione Transferase Pi Enzyme in Complex with the Bifunctional Inhibitor, Etharapta (pdb code 3dd3). 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 the Glutathione Transferase Pi Enzyme in Complex with the Bifunctional Inhibitor, Etharapta, PDB code: 3dd3:

Ruthenium binding site 1 out of 1 in 3dd3

Go back to Ruthenium Binding Sites List in 3dd3
Ruthenium binding site 1 out of 1 in the Crystal Structure of the Glutathione Transferase Pi Enzyme in Complex with the Bifunctional Inhibitor, Etharapta


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 the Glutathione Transferase Pi Enzyme in Complex with the Bifunctional Inhibitor, Etharapta within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru211

b:46.5
occ:0.30
RU11 A:RUC211 0.0 46.5 0.3
C29 A:RUC211 2.2 46.4 0.3
C26 A:RUC211 2.2 45.5 0.3
C28 A:RUC211 2.2 46.5 0.3
C31 A:RUC211 2.2 45.8 0.3
C30 A:RUC211 2.2 46.1 0.3
C27 A:RUC211 2.2 46.2 0.3
SG B:CYS101 2.6 50.2 1.0
SG A:CYS101 3.1 52.4 1.0
CB B:CYS101 3.6 46.9 1.0
CB A:CYS101 3.9 49.0 1.0
O B:HOH236 4.7 42.2 0.7

Reference:

W.H.Ang, L.J.Parker, A.De Luca, L.Juillerat-Jeanneret, C.J.Morton, M.Lo Bello, M.W.Parker, P.J.Dyson. Rational Design of An Organometallic Glutathione Transferase Inhibitor Angew.Chem.Int.Ed.Engl. V. 48 3854 2009.
ISSN: ISSN 1433-7851
PubMed: 19396894
DOI: 10.1002/ANIE.200900185
Page generated: Mon Jan 25 16:02:18 2021

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