Ruthenium in PDB 5l8d: X-Ray Structure of Nika From Escherichia Coli in Complex with Ru(Bis(Pyrzol-1-Yl)Acetate Scorpionate)(Co)2CL

The structure of X-Ray Structure of Nika From Escherichia Coli in Complex with Ru(Bis(Pyrzol-1-Yl)Acetate Scorpionate)(Co)2CL, PDB code: 5l8d was solved by S.Menage, C.Cavazza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.80 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.303, 93.606, 124.211, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.8

The structure of X-Ray Structure of Nika From Escherichia Coli in Complex with Ru(Bis(Pyrzol-1-Yl)Acetate Scorpionate)(Co)2CL also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Ruthenium atom in the X-Ray Structure of Nika From Escherichia Coli in Complex with Ru(Bis(Pyrzol-1-Yl)Acetate Scorpionate)(Co)2CL (pdb code 5l8d). 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 Nika From Escherichia Coli in Complex with Ru(Bis(Pyrzol-1-Yl)Acetate Scorpionate)(Co)2CL, PDB code: 5l8d:

Ruthenium binding site 1 out of 1 in the X-Ray Structure of Nika From Escherichia Coli in Complex with Ru(Bis(Pyrzol-1-Yl)Acetate Scorpionate)(Co)2CL


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 Nika From Escherichia Coli in Complex with Ru(Bis(Pyrzol-1-Yl)Acetate Scorpionate)(Co)2CL within 5.0Å range: probe atom residue distance (Å) B Occ B:Ru606 b:28.7 occ:0.90 C B:CMO611 1.8 34.9 1.0 NAL B:6RP608 2.0 30.2 0.9 NAM B:6RP608 2.2 31.4 0.9 OXT B:6RP608 2.2 26.4 0.9 C B:CMO612 2.3 32.5 0.8 CL B:CL607 2.5 42.7 0.9 NAE B:6RP608 2.7 31.2 0.9 N B:6RP608 2.7 28.9 0.9 CA B:6RP608 2.9 26.9 0.9 C B:6RP608 3.0 25.7 0.9 O B:CMO612 3.0 40.0 0.8 O B:CMO611 3.0 43.0 1.0 CAK B:6RP608 3.1 29.0 0.9 CAN B:6RP608 3.3 28.9 0.9 CAD B:6RP608 3.9 28.6 0.9 CAH B:6RP608 4.0 31.8 0.9 CAI B:6RP608 4.1 33.5 0.9 NH2 B:ARG137 4.1 19.8 1.0 O B:HOH951 4.2 46.5 1.0 O B:6RP608 4.2 19.6 0.9 CAJ B:6RP608 4.2 32.7 0.9 SD B:MET27 4.8 34.3 1.0

S.Lopez, L.Rondot, C.Cavazza, M.Iannello, E.Boeri-Erba, N.Burzlaff, F.Strinitz, A.Jorge-Robin, C.Marchi-Delapierre, S.Menage. Efficient Conversion of Alkenes to Chlorohydrins By A Ru-Based Artificial Enzyme. Chem. Commun. (Camb.) V. 53 3579 2017.
ISSN: ESSN 1364-548X
PubMed: 28289745
DOI: 10.1039/C6CC08873B