Ruthenium in PDB 4l55: X-Ray Structure of the Adduct Between Bovine Pancreatic Ribonuclease and Aziru

All present enzymatic activity of X-Ray Structure of the Adduct Between Bovine Pancreatic Ribonuclease and Aziru:
3.1.27.5;

The structure of X-Ray Structure of the Adduct Between Bovine Pancreatic Ribonuclease and Aziru, PDB code: 4l55 was solved by A.Vergara, I.Russo Krauss, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.14 / 1.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.104, 32.532, 72.484, 90.00, 90.41, 90.00
R / Rfree (%)	20.3 / 24.4

The binding sites of Ruthenium atom in the X-Ray Structure of the Adduct Between Bovine Pancreatic Ribonuclease and Aziru (pdb code 4l55). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the X-Ray Structure of the Adduct Between Bovine Pancreatic Ribonuclease and Aziru, PDB code: 4l55:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the X-Ray Structure of the Adduct Between Bovine Pancreatic Ribonuclease and Aziru


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 Bovine Pancreatic Ribonuclease and Aziru within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru5000 b:32.8 occ:0.50 NE2 A:HIS105 2.0 26.9 1.0 O A:HOH5221 2.3 33.3 0.5 O A:HOH5224 2.3 34.1 0.5 O A:HOH5225 2.3 31.8 0.5 O A:HOH5223 2.3 33.5 0.5 O A:HOH5222 2.3 33.5 0.5 CD2 A:HIS105 2.9 26.0 1.0 CE1 A:HIS105 3.1 26.3 1.0 CG A:HIS105 4.1 24.4 1.0 ND1 A:HIS105 4.1 25.4 1.0 O A:HOH5167 4.3 44.6 1.0 CG2 A:THR78 4.4 29.3 1.0

Ruthenium binding site 2 out of 2 in the X-Ray Structure of the Adduct Between Bovine Pancreatic Ribonuclease and Aziru


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of X-Ray Structure of the Adduct Between Bovine Pancreatic Ribonuclease and Aziru within 5.0Å range: probe atom residue distance (Å) B Occ B:Ru201 b:47.1 occ:0.50 NE2 B:HIS119 2.0 36.2 1.0 O B:HOH412 2.3 47.5 0.5 O B:HOH414 2.3 47.4 0.5 O B:HOH416 2.3 47.4 0.5 O B:HOH413 2.3 47.7 0.5 O B:HOH415 2.3 47.5 0.5 CE1 B:HIS119 2.9 34.0 1.0 CD2 B:HIS119 3.1 33.6 1.0 O B:HOH354 3.3 40.8 1.0 ND1 B:HIS119 4.0 31.7 1.0 O B:HOH400 4.1 23.3 1.0 CG B:HIS119 4.2 28.1 1.0

A.Vergara, I.Russo Krauss, D.Montesarchio, L.Paduano, A.Merlino. Investigating the Ruthenium Metalation of Proteins: X-Ray Structure and Raman Microspectroscopy of the Complex Between Rnase A and Aziru. Inorg.Chem. V. 52 10714 2013.
ISSN: ISSN 0020-1669
PubMed: 24093479
DOI: 10.1021/IC401494V