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Ruthenium in PDB 4j1a: X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Green Crystal)

Enzymatic activity of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Green Crystal)

All present enzymatic activity of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Green Crystal):
3.2.1.17;

Protein crystallography data

The structure of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Green Crystal), PDB code: 4j1a was solved by A.Vergara, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.84 / 1.79
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.189, 78.189, 37.157, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 23.7

Other elements in 4j1a:

The structure of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Green Crystal) also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms
Sodium (Na) 1 atom

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Green Crystal) (pdb code 4j1a). 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 X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Green Crystal), PDB code: 4j1a:

Ruthenium binding site 1 out of 1 in 4j1a

Go back to Ruthenium Binding Sites List in 4j1a
Ruthenium binding site 1 out of 1 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Green Crystal)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Green Crystal) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru204

b:39.8
occ:0.30
 NH2 A:ARG14 2.1 28.3 0.7
OD2 A:ASP87 2.5 29.6 0.3
O A:HOH303 2.5 36.0 0.3
O A:HOH301 2.5 37.1 0.3
NE2 A:HIS15 2.6 27.9 1.0
CL A:CL205 2.6 33.8 0.3
O A:HOH302 2.7 36.9 0.3
CZ A:ARG14 3.2 27.3 0.7
CE1 A:HIS15 3.4 26.6 1.0
NH1 A:ARG14 3.6 26.0 0.7
CD2 A:HIS15 3.7 25.1 1.0
CG A:ASP87 3.7 24.8 0.3
OD1 A:ASP87 3.7 23.8 0.7
CG A:ASP87 4.3 24.4 0.7
OG1 A:THR89 4.3 23.8 1.0
NE A:ARG14 4.3 27.6 0.7
OD1 A:ASP87 4.5 23.6 0.3
ND1 A:HIS15 4.6 27.5 1.0
CB A:ASP87 4.6 23.2 0.3
OD2 A:ASP87 4.7 29.3 0.7
CG A:HIS15 4.7 24.9 1.0
O A:HOH349 4.7 37.0 1.0
N A:ILE88 4.9 20.1 1.0
CA A:ASP87 5.0 21.3 0.3

Reference:

A.Vergara, G.D'errico, D.Montesarchio, G.Mangiapia, L.Paduano, A.Merlino. Interaction of Anticancer Ruthenium Compounds with Proteins: High-Resolution X-Ray Structures and Raman Microscopy Studies of the Adduct Between Hen Egg White Lysozyme and Aziru. Inorg.Chem. V. 52 4157 2013.
ISSN: ISSN 0020-1669
PubMed: 23517183
DOI: 10.1021/IC4004142
Page generated: Thu Oct 10 12:52:12 2024

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