Chlorine in PDB 3esa: Cut-1B; Ncn-Pt-Pincer-Cutinase Hybrid

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

The structure of Cut-1B; Ncn-Pt-Pincer-Cutinase Hybrid, PDB code: 3esa 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)	33.73 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	33.970, 71.859, 68.568, 90.00, 96.94, 90.00
R / Rfree (%)	19.9 / 25.3

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

Platinum

(Pt)

2 atoms

The binding sites of Chlorine atom in the Cut-1B; Ncn-Pt-Pincer-Cutinase Hybrid (pdb code 3esa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cut-1B; Ncn-Pt-Pincer-Cutinase Hybrid, PDB code: 3esa:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cut-1B; 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-1B; Ncn-Pt-Pincer-Cutinase Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl215 b:49.8 occ:1.00 CL A:NXC215 0.0 49.8 1.0 PT A:NXC215 2.6 49.5 1.0 N1 A:NXC215 3.5 49.9 1.0 C8 A:NXC215 3.5 49.8 1.0 N2 A:NXC215 3.6 50.0 1.0 C9 A:NXC215 3.6 50.4 1.0 C11 A:NXC215 3.7 50.0 1.0 C12 A:NXC215 3.7 48.4 1.0 C1 A:NXC215 4.6 50.0 1.0 C7 A:NXC215 4.9 49.4 1.0 CB B:ALA186 5.0 33.5 1.0

Chlorine binding site 2 out of 2 in the Cut-1B; 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 2 of Cut-1B; Ncn-Pt-Pincer-Cutinase Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl215 b:55.3 occ:1.00 CL B:NXC215 0.0 55.3 1.0 PT B:NXC215 2.5 55.2 1.0 N2 B:NXC215 3.5 55.5 1.0 N1 B:NXC215 3.5 55.8 1.0 C12 B:NXC215 3.6 54.1 1.0 C11 B:NXC215 3.6 54.3 1.0 C9 B:NXC215 3.6 56.4 1.0 C8 B:NXC215 3.6 56.1 1.0 CD1 A:LEU189 4.0 29.7 1.0 C1 B:NXC215 4.6 55.0 1.0 C10 B:NXC215 4.9 54.9 1.0 C7 B:NXC215 5.0 55.5 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