Palladium in PDB 3esd: Cut-2B; Ncn-Pt-Pincer-Cutinase Hybrid

All present enzymatic activity of Cut-2B; Ncn-Pt-Pincer-Cutinase Hybrid:
3.1.1.74;

The structure of Cut-2B; Ncn-Pt-Pincer-Cutinase Hybrid, PDB code: 3esd was solved by L.Rutten, J.P.B.A.Mannie, M.Lutz, P.Gros, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.00 / 1.22
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	72.360, 72.360, 110.770, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 22.2

The structure of Cut-2B; Ncn-Pt-Pincer-Cutinase Hybrid also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Palladium atom in the Cut-2B; Ncn-Pt-Pincer-Cutinase Hybrid (pdb code 3esd). This binding sites where shown within 5.0 Angstroms radius around Palladium atom.
In total only one binding site of Palladium was determined in the Cut-2B; Ncn-Pt-Pincer-Cutinase Hybrid, PDB code: 3esd:

Palladium binding site 1 out of 1 in the Cut-2B; Ncn-Pt-Pincer-Cutinase Hybrid


Mono view


Stereo pair view

A full contact list of Palladium with other atoms in the Pd binding site number 1 of Cut-2B; Ncn-Pt-Pincer-Cutinase Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Pd215 b:21.2 occ:1.00 PD1 A:SXC215 0.0 21.2 1.0 C1 A:SXC215 2.0 8.8 1.0 S2 A:SXC215 2.3 21.9 1.0 S1 A:SXC215 2.3 23.0 1.0 BR1 A:SXC215 2.5 62.6 1.0 C6 A:SXC215 2.9 13.3 1.0 C2 A:SXC215 3.0 15.2 1.0 C10 A:SXC215 3.2 14.7 1.0 C7 A:SXC215 3.2 16.4 1.0 C12 A:SXC215 3.2 20.2 1.0 C9 A:SXC215 3.3 42.6 1.0 CG A:LEU81 3.9 22.7 1.0 CB A:LEU81 4.2 19.8 1.0 C3 A:SXC215 4.3 12.4 1.0 C5 A:SXC215 4.3 13.8 1.0 CD2 A:LEU81 4.4 16.3 1.0 C4 A:SXC215 4.8 10.7 1.0

L.Rutten, B.Wieczorek, J.P.B.A.Mannie, C.A.Kruithof, H.P.Dijkstra, M.R.Egmond, M.Lutz, R.J.M.Klein Gebbink, P.Gros, G.Van Koten. Solid-State Structural Characterization of Cutinase-Ece-Pincer-Metal Hybrids Chemistry V. 15 4270 2009.
ISSN: ISSN 0947-6539
PubMed: 19219875
DOI: 10.1002/CHEM.200801995