Ruthenium in PDB 1t3p: Half-Sandwich Arene Ruthenium(II)-Enzyme Complex

All present enzymatic activity of Half-Sandwich Arene Ruthenium(II)-Enzyme Complex:
3.2.1.17;

The structure of Half-Sandwich Arene Ruthenium(II)-Enzyme Complex, PDB code: 1t3p was solved by I.W.Mcnae, K.Fishburne, A.Habtemariam, T.M.Hunter, M.Melchart, F.Wang, M.D.Walkinshaw, P.J.Sadler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.80 / 1.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.142, 80.142, 37.064, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.7

The structure of Half-Sandwich Arene Ruthenium(II)-Enzyme Complex also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Sodium	(Na)	1 atom

The binding sites of Ruthenium atom in the Half-Sandwich Arene Ruthenium(II)-Enzyme Complex (pdb code 1t3p). 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 Half-Sandwich Arene Ruthenium(II)-Enzyme Complex, PDB code: 1t3p:

Ruthenium binding site 1 out of 1 in the Half-Sandwich Arene Ruthenium(II)-Enzyme Complex


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Half-Sandwich Arene Ruthenium(II)-Enzyme Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru233 b:26.6 occ:1.00 RU1 A:RU7233 0.0 26.6 1.0 C2 A:RU7233 2.2 24.2 1.0 NE2 A:HIS15 2.2 19.1 1.0 C3 A:RU7233 2.2 24.5 1.0 C1 A:RU7233 2.3 25.3 1.0 CL2 A:RU7233 2.3 29.4 1.0 C6 A:RU7233 2.3 27.3 1.0 C4 A:RU7233 2.3 27.5 1.0 C5 A:RU7233 2.4 27.9 1.0 CL1 A:RU7233 2.4 27.3 1.0 CE1 A:HIS15 3.1 19.5 1.0 CD2 A:HIS15 3.2 20.8 1.0 C7 A:RU7233 3.4 27.8 1.0 C8 A:RU7233 3.5 31.7 1.0 C9 A:RU7233 3.8 32.6 1.0 O A:HOH235 4.1 38.6 1.0 ND1 A:HIS15 4.3 20.1 1.0 CG A:HIS15 4.3 19.4 1.0 C10 A:RU7233 4.7 32.9 1.0 OD1 A:ASP87 4.8 24.4 1.0

I.W.Mcnae, K.Fishburne, A.Habtemariam, T.M.Hunter, M.Melchart, F.Wang, M.D.Walkinshaw, P.J.Sadler. Half-Sandwich Arene Ruthenium(II)-Enzyme Complex Chem.Commun.(Camb.) V. 16 1786 2004.
ISSN: ISSN 1359-7345
PubMed: 15306883
DOI: 10.1039/B408141B