Zinc in PDB 6zul: Crystal Structure of Dimethylated Rsl in Complex with Cucurbit[7]Uril and Zinc

The structure of Crystal Structure of Dimethylated Rsl in Complex with Cucurbit[7]Uril and Zinc, PDB code: 6zul was solved by F.Guagnini, S.Engilberge, R.J.Flood, K.O.Ramberg, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.44 / 1.62
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.358, 50.356, 71.513, 84.17, 82.46, 60.04
R / Rfree (%)	17.4 / 20.9

The structure of Crystal Structure of Dimethylated Rsl in Complex with Cucurbit[7]Uril and Zinc also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Zinc atom in the Crystal Structure of Dimethylated Rsl in Complex with Cucurbit[7]Uril and Zinc (pdb code 6zul). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Dimethylated Rsl in Complex with Cucurbit[7]Uril and Zinc, PDB code: 6zul:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Dimethylated Rsl in Complex with Cucurbit[7]Uril and Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Dimethylated Rsl in Complex with Cucurbit[7]Uril and Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn104 b:24.1 occ:0.63 NE2 A:HIS60 2.0 14.9 1.0 CE1 A:HIS60 2.9 15.3 1.0 CD2 A:HIS60 3.0 15.6 1.0 ND1 A:HIS60 4.0 12.9 1.0 O C:HOH241 4.0 24.1 1.0 CG A:HIS60 4.1 10.0 1.0 CB A:ALA58 4.8 14.8 1.0 CG2 A:VAL55 4.9 20.4 1.0 OD1 A:ASP77 5.0 17.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Dimethylated Rsl in Complex with Cucurbit[7]Uril and Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Dimethylated Rsl in Complex with Cucurbit[7]Uril and Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn105 b:25.8 occ:0.62 NE2 F:HIS60 1.9 15.7 1.0 N A:SNM1 2.3 34.5 1.0 OG A:SNM1 2.3 28.8 1.0 C2 A:SNM1 2.4 38.0 1.0 CB A:SNM1 2.6 36.9 1.0 CE1 F:HIS60 2.8 16.9 1.0 O F:HOH280 2.9 49.7 1.0 CD2 F:HIS60 2.9 16.1 1.0 CA A:SNM1 2.9 34.5 1.0 C1 A:SNM1 3.6 43.4 1.0 ND1 F:HIS60 3.9 16.6 1.0 O A:HOH236 4.0 25.4 1.0 CG F:HIS60 4.0 13.7 1.0 C A:SNM1 4.2 26.5 1.0 O A:SNM1 4.5 24.6 1.0 O B:HOH276 4.6 35.5 1.0 OD1 F:ASP77 4.8 20.0 1.0 CB F:ALA58 4.9 19.6 1.0

F.Guagnini, S.Engilberge, R.J.Flood, K.O.Ramberg, P.B.Crowley. Metal-Mediated Protein-Cucurbituril Crystalline Architectures Cryst.Growth Des. 2020.
ISSN: ESSN 1528-7505
DOI: 10.1021/ACS.CGD.0C01023