Iron 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:

Ruthenium	(Ru)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Iron 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 Iron atom.
In total only one binding site of Iron 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:

Iron 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 Iron with other atoms in the Fe 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 A:Fe608 b:23.1 occ:1.00 O20 A:EDT609 2.0 30.4 1.0 O A:HOH703 2.1 33.2 1.0 O13 A:EDT609 2.1 26.4 1.0 O16 A:EDT609 2.2 27.5 1.0 O18 A:EDT609 2.2 23.9 1.0 N3 A:EDT609 2.3 24.8 1.0 N8 A:EDT609 2.3 27.5 1.0 C5 A:EDT609 2.9 29.0 1.0 C12 A:EDT609 2.9 28.6 1.0 C1 A:EDT609 3.0 21.4 1.0 C10 A:EDT609 3.0 33.5 1.0 C11 A:EDT609 3.0 27.3 1.0 C9 A:EDT609 3.1 27.3 1.0 C4 A:EDT609 3.1 25.6 1.0 C6 A:EDT609 3.1 24.4 1.0 C2 A:EDT609 3.1 24.2 1.0 C7 A:EDT609 3.3 25.9 1.0 O A:HOH923 3.8 44.5 1.0 O19 A:EDT609 4.1 29.3 1.0 O14 A:EDT609 4.1 30.8 1.0 O15 A:EDT609 4.2 31.6 1.0 NH2 A:ARG137 4.2 19.2 1.0 O17 A:EDT609 4.2 23.3 1.0 O A:HOH795 4.6 42.4 1.0 SD A:MET27 4.8 23.3 0.4 CE A:MET27 4.8 24.6 0.6

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