Rhodium in PDB 4kii: Beta-Lactoglobulin in Complex with Cp*Rh(III)Cl N,N-Di(Pyridin-2-Yl) Dodecanamide

The structure of Beta-Lactoglobulin in Complex with Cp*Rh(III)Cl N,N-Di(Pyridin-2-Yl) Dodecanamide, PDB code: 4kii was solved by M.V.Cherrier, P.Amara, S.Engilberge, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.86 / 1.85
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	52.950, 52.950, 110.680, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 22

The binding sites of Rhodium atom in the Beta-Lactoglobulin in Complex with Cp*Rh(III)Cl N,N-Di(Pyridin-2-Yl) Dodecanamide (pdb code 4kii). This binding sites where shown within 5.0 Angstroms radius around Rhodium atom.
In total only one binding site of Rhodium was determined in the Beta-Lactoglobulin in Complex with Cp*Rh(III)Cl N,N-Di(Pyridin-2-Yl) Dodecanamide, PDB code: 4kii:

Rhodium binding site 1 out of 1 in the Beta-Lactoglobulin in Complex with Cp*Rh(III)Cl N,N-Di(Pyridin-2-Yl) Dodecanamide


Mono view


Stereo pair view

A full contact list of Rhodium with other atoms in the Rh binding site number 1 of Beta-Lactoglobulin in Complex with Cp*Rh(III)Cl N,N-Di(Pyridin-2-Yl) Dodecanamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Rh201 b:23.1 occ:0.00 RH1 A:RHL201 0.0 23.1 0.0 N6 A:RHL201 2.0 43.1 0.0 N4 A:RHL201 2.3 43.1 0.0 N5 A:RHL201 2.5 51.9 0.0 C16 A:RHL201 2.6 45.7 0.0 C15 A:RHL201 2.8 45.7 0.0 C20 A:RHL201 3.2 41.5 0.0 C1 A:RHL201 3.2 64.8 1.0 C11 A:RHL201 3.5 41.5 0.0 O1 A:RHL201 3.9 73.1 1.0 C2 A:RHL201 4.0 64.9 1.0 C17 A:RHL201 4.0 43.1 0.0 C14 A:RHL201 4.2 43.1 0.0 C19 A:RHL201 4.4 40.9 0.0 C12 A:RHL201 4.6 40.9 0.0 CE A:MET107 4.7 0.3 1.0 C18 A:RHL201 4.7 41.5 0.0 CD1 A:LEU39 4.8 51.8 1.0 ND2 A:ASN90 4.9 80.4 1.0 C13 A:RHL201 4.9 41.5 0.0 C3 A:RHL201 4.9 53.5 1.0

M.V.Cherrier, P.Amara, S.Engilberge, A.Chevalley, M.Salmain, J.C.Fontecilla-Camps. Structural Basis For Enantioselectivity in the Transfer Hydrogenation of A Ketone Catalyzed By An Artificial Metalloenzyme Eur.J.Inorg.Chem. V. 21 3596 2013.
ISSN: ISSN 1434-1948
DOI: 10.1002/EJIC.201300592