Ruthenium in PDB 3o7r: Crystal Structure of Ru(P-Cymene)/Apo-H49AFR

The structure of Crystal Structure of Ru(P-Cymene)/Apo-H49AFR, PDB code: 3o7r was solved by Y.Takezawa, P.Bockmann, N.Sugi, Z.Wang, S.Abe, T.Murakami, T.Hikage, G.Erker, Y.Watanabe, S.Kitagawa, T.Ueno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.28 / 1.90
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	181.703, 181.703, 181.703, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.7

The structure of Crystal Structure of Ru(P-Cymene)/Apo-H49AFR also contains other interesting chemical elements:

Cadmium

(Cd)

3 atoms

The binding sites of Ruthenium atom in the Crystal Structure of Ru(P-Cymene)/Apo-H49AFR (pdb code 3o7r). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the Crystal Structure of Ru(P-Cymene)/Apo-H49AFR, PDB code: 3o7r:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the Crystal Structure of Ru(P-Cymene)/Apo-H49AFR


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 Ru(P-Cymene)/Apo-H49AFR within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru178 b:59.1 occ:0.50 NE2 A:HIS114 2.3 45.9 1.0 O A:HOH370 2.4 38.3 1.0 CE1 A:HIS114 2.7 46.3 1.0 OE2 A:GLU130 2.7 58.3 1.0 CB A:CYS126 3.1 50.8 1.0 SG A:CYS126 3.4 55.3 1.0 CD2 A:HIS114 3.6 44.6 1.0 CD A:GLU130 3.9 57.6 1.0 ND1 A:HIS114 3.9 45.3 1.0 OG A:SER118 4.2 52.1 1.0 OE1 A:GLU130 4.3 59.5 1.0 CG A:HIS114 4.4 44.0 1.0 CA A:CYS126 4.4 50.5 1.0 C A:CYS126 4.8 50.7 1.0

Ruthenium binding site 2 out of 2 in the Crystal Structure of Ru(P-Cymene)/Apo-H49AFR


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of Crystal Structure of Ru(P-Cymene)/Apo-H49AFR within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru179 b:55.3 occ:0.30 NE2 A:HIS173 1.6 54.5 1.0 CE1 A:HIS173 2.3 53.5 1.0 CD2 A:HIS173 2.8 51.8 1.0 ND1 A:HIS173 3.5 51.4 1.0 CG A:HIS173 3.7 49.1 1.0 O A:LEU169 4.9 15.3 1.0 O A:HOH363 4.9 33.7 1.0

Y.Takezawa, P.Bockmann, N.Sugi, Z.Wang, S.Abe, T.Murakami, T.Hikage, G.Erker, Y.Watanabe, S.Kitagawa, T.Ueno. Incorporation of Organometallic Ru Complexes Into Apo-Ferritin Cage. J.Chem.Soc.,Dalton Trans. V. 40 2190 2011.
ISSN: ISSN 0300-9246
PubMed: 21113534
DOI: 10.1039/C0DT00955E