Zinc in PDB 5wlk: De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2

The structure of De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2, PDB code: 5wlk was solved by S.-Q.Zhang, L.Liu, W.F.Degrado, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.14 / 1.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.995, 80.995, 65.308, 90.00, 90.00, 120.00
R / Rfree (%)	16.8 / 17.8

The binding sites of Zinc atom in the De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2 (pdb code 5wlk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2, PDB code: 5wlk:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn101 b:17.5 occ:0.42 OE2 A:GLU12 2.1 19.4 1.0 OE2 B:GLU12 2.1 19.6 1.0 OE1 B:GLU12 2.7 20.5 1.0 OE1 A:GLU12 2.7 20.8 1.0 CD B:GLU12 2.7 18.6 1.0 CD A:GLU12 2.7 18.3 1.0 ND1 B:HIS15 4.0 17.3 1.0 ND1 A:HIS15 4.0 16.2 1.0 CG B:GLU12 4.2 17.6 1.0 CG A:GLU12 4.2 17.1 1.0 CE1 B:HIS15 4.4 19.1 1.0 CE1 A:HIS15 4.5 18.4 1.0

Zinc binding site 2 out of 2 in the De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn101 b:31.1 occ:0.42 OE2 D:GLU12 2.1 29.4 0.8 OE2 C:GLU12 2.1 29.1 0.8 CD D:GLU12 2.8 29.3 0.8 CD C:GLU12 2.8 28.8 0.8 OE1 D:GLU12 2.8 31.2 0.8 OE1 C:GLU12 2.8 29.9 0.8 ND1 D:HIS15 4.0 28.1 1.0 ND1 C:HIS15 4.0 28.3 1.0 CG D:GLU12 4.3 28.1 1.0 CG C:GLU12 4.3 28.5 1.0 CE1 D:HIS15 4.4 30.6 1.0 CE1 C:HIS15 4.4 30.4 1.0

S.Q.Zhang, M.Chino, L.Liu, Y.Tang, X.Hu, W.F.Degrado, A.Lombardi. De Novo Design of Tetranuclear Transition Metal Clusters Stabilized By Hydrogen-Bonded Networks in Helical Bundles. J. Am. Chem. Soc. V. 140 1294 2018.
ISSN: ESSN 1520-5126
PubMed: 29249157
DOI: 10.1021/JACS.7B08261