Chlorine in PDB 4uyu: Structure of the Wnt Deacylase Notum - Crystal Form I Iodide Complex - 2.3A

All present enzymatic activity of Structure of the Wnt Deacylase Notum - Crystal Form I Iodide Complex - 2.3A:
3.1.1.1;

The structure of Structure of the Wnt Deacylase Notum - Crystal Form I Iodide Complex - 2.3A, PDB code: 4uyu was solved by M.Zebisch, E.Y.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.78 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.220, 177.564, 60.991, 90.00, 90.00, 90.00
R / Rfree (%)	20.838 / 24.346

The structure of Structure of the Wnt Deacylase Notum - Crystal Form I Iodide Complex - 2.3A also contains other interesting chemical elements:

Iodine

(I)

11 atoms

The binding sites of Chlorine atom in the Structure of the Wnt Deacylase Notum - Crystal Form I Iodide Complex - 2.3A (pdb code 4uyu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Wnt Deacylase Notum - Crystal Form I Iodide Complex - 2.3A, PDB code: 4uyu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Wnt Deacylase Notum - Crystal Form I Iodide Complex - 2.3A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Wnt Deacylase Notum - Crystal Form I Iodide Complex - 2.3A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1456 b:45.8 occ:1.00 NH1 A:ARG115 2.7 70.1 1.0 CZ A:ARG115 3.5 67.6 1.0 NH2 A:ARG115 3.7 69.2 1.0 NE A:ARG115 4.5 67.7 1.0 CG A:ARG115 4.5 60.8 1.0 CA A:ARG115 4.6 48.5 1.0 CB A:ARG115 4.8 54.1 1.0 OE1 A:GLU113 4.9 54.4 1.0 CD A:ARG115 5.0 66.0 1.0

Chlorine binding site 2 out of 2 in the Structure of the Wnt Deacylase Notum - Crystal Form I Iodide Complex - 2.3A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Wnt Deacylase Notum - Crystal Form I Iodide Complex - 2.3A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1459 b:41.7 occ:1.00 CD B:ARG154 3.4 44.7 1.0 N A:LEU93 3.6 33.9 1.0 CG B:ARG154 3.8 41.8 1.0 NE B:ARG154 4.0 48.4 1.0 CB A:LEU93 4.1 33.7 1.0 CG A:LEU93 4.2 33.1 1.0 O A:LEU91 4.2 32.1 1.0 CA A:HIS92 4.3 32.9 1.0 CD1 A:LEU93 4.4 33.9 1.0 C A:HIS92 4.4 33.4 1.0 CA A:LEU93 4.4 34.1 1.0 CB B:ARG154 4.5 39.2 1.0 C A:LEU91 4.8 32.7 1.0 O A:LEU93 4.9 35.1 1.0 N A:HIS92 5.0 33.2 1.0

S.Kakugawa, P.F.Langton, M.Zebisch, S.A.Howell, T.-H.Chang, Y.Liu, T.Feizi, G.Bineva, N.O'reilly, A.P.Snijders, E.Y.Jones, J.-P.Vincent. Notum Deacylates Wnt Proteins to Suppress Signalling Activity Nature 2015.
ISSN: ESSN 1476-4687
DOI: 10.1038/NATURE14259