Chlorine in PDB 3esb: Cut-1C; Ncn-Pt-Pincer-Cutinase Hybrid

All present enzymatic activity of Cut-1C; Ncn-Pt-Pincer-Cutinase Hybrid:
3.1.1.74;

The structure of Cut-1C; Ncn-Pt-Pincer-Cutinase Hybrid, PDB code: 3esb 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)	33.56 / 2.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.976, 69.976, 100.666, 90.00, 90.00, 120.00
R / Rfree (%)	21.5 / 24.7

The structure of Cut-1C; Ncn-Pt-Pincer-Cutinase Hybrid also contains other interesting chemical elements:

Platinum

(Pt)

1 atom

The binding sites of Chlorine atom in the Cut-1C; Ncn-Pt-Pincer-Cutinase Hybrid (pdb code 3esb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Cut-1C; Ncn-Pt-Pincer-Cutinase Hybrid, PDB code: 3esb:

Chlorine binding site 1 out of 1 in the Cut-1C; Ncn-Pt-Pincer-Cutinase Hybrid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cut-1C; Ncn-Pt-Pincer-Cutinase Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl215 b:78.3 occ:0.50 PT A:NXC216 2.7 81.2 1.0 C9 A:NXC216 3.1 78.9 1.0 N1 A:NXC216 3.4 78.8 1.0 C11 A:NXC216 3.6 79.5 1.0 N2 A:NXC216 3.8 78.8 1.0 C8 A:NXC216 3.9 79.8 1.0 C12 A:NXC216 4.4 79.3 1.0 C1 A:NXC216 4.5 78.1 1.0 C7 A:NXC216 4.8 78.3 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