Zinc in PDB 7shh: Bacterial Cereblon Homologue in Complex with (R)-3-(4-Methoxyphenyl) Piperidine-2,6-Dione

The structure of Bacterial Cereblon Homologue in Complex with (R)-3-(4-Methoxyphenyl) Piperidine-2,6-Dione, PDB code: 7shh was solved by S.Nithianantham, M.Fischer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.29 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.311, 59.586, 87.706, 90, 90, 90
R / Rfree (%)	19.2 / 21.6

The binding sites of Zinc atom in the Bacterial Cereblon Homologue in Complex with (R)-3-(4-Methoxyphenyl) Piperidine-2,6-Dione (pdb code 7shh). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Bacterial Cereblon Homologue in Complex with (R)-3-(4-Methoxyphenyl) Piperidine-2,6-Dione, PDB code: 7shh:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Bacterial Cereblon Homologue in Complex with (R)-3-(4-Methoxyphenyl) Piperidine-2,6-Dione


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Bacterial Cereblon Homologue in Complex with (R)-3-(4-Methoxyphenyl) Piperidine-2,6-Dione within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:29.8 occ:1.00 SG A:CYS24 2.3 31.0 1.0 SG A:CYS27 2.3 29.8 1.0 SG A:CYS93 2.3 31.7 1.0 SG A:CYS90 2.3 28.7 1.0 CB A:CYS24 3.1 27.5 1.0 CB A:CYS90 3.1 25.1 1.0 CB A:CYS93 3.2 32.8 1.0 CB A:CYS27 3.5 31.9 1.0 N A:CYS93 3.8 30.6 1.0 N A:CYS27 3.9 32.2 1.0 CA A:CYS93 4.1 32.5 1.0 CA A:CYS27 4.2 32.7 1.0 CB A:GLN26 4.5 42.0 1.0 CB A:GLN29 4.5 29.6 0.7 CB A:GLN29 4.5 29.7 0.3 CA A:CYS24 4.6 26.7 1.0 CA A:CYS90 4.6 25.3 1.0 CB A:SER95 4.6 36.7 1.0 C A:GLN26 4.7 36.2 1.0 CB A:GLN92 4.7 26.1 1.0 C A:CYS93 4.7 31.0 1.0 N A:GLY94 4.9 31.3 1.0 N A:GLN26 4.9 32.9 1.0 C A:CYS27 4.9 33.2 1.0 C A:GLN92 4.9 31.2 1.0 N A:GLY28 4.9 28.8 1.0 CA A:GLN26 4.9 37.8 1.0 N A:GLN29 4.9 29.5 1.0 N A:SER95 4.9 30.9 1.0 C A:CYS24 5.0 27.6 1.0

Zinc binding site 2 out of 3 in the Bacterial Cereblon Homologue in Complex with (R)-3-(4-Methoxyphenyl) Piperidine-2,6-Dione


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Bacterial Cereblon Homologue in Complex with (R)-3-(4-Methoxyphenyl) Piperidine-2,6-Dione within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:36.6 occ:1.00 SG B:CYS27 2.3 38.9 1.0 SG B:CYS93 2.3 38.1 1.0 SG B:CYS90 2.3 37.0 1.0 SG B:CYS24 2.3 32.5 1.0 CB B:CYS24 3.1 31.4 1.0 CB B:CYS90 3.2 34.4 1.0 CB B:CYS93 3.2 39.2 1.0 CB B:CYS27 3.3 41.3 1.0 N B:CYS93 3.7 40.6 1.0 N B:CYS27 3.8 42.0 1.0 CA B:CYS93 4.0 40.1 1.0 CA B:CYS27 4.1 42.8 1.0 CA B:CYS24 4.6 30.1 1.0 CB B:GLN92 4.6 39.6 1.0 CA B:CYS90 4.6 32.6 1.0 CB B:GLN26 4.7 46.5 1.0 C B:CYS93 4.7 38.4 1.0 C B:GLN26 4.7 42.6 1.0 C B:CYS27 4.7 43.4 1.0 C B:GLN92 4.7 39.5 1.0 CB B:SER95 4.8 40.4 1.0 N B:GLY94 4.8 38.5 1.0 N B:GLY28 4.8 39.6 1.0 CB B:GLN29 4.8 38.0 0.5 CB B:GLN29 4.9 38.1 0.5 NE2 B:GLN26 4.9 63.5 1.0 N B:SER95 4.9 37.8 1.0

Zinc binding site 3 out of 3 in the Bacterial Cereblon Homologue in Complex with (R)-3-(4-Methoxyphenyl) Piperidine-2,6-Dione


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Bacterial Cereblon Homologue in Complex with (R)-3-(4-Methoxyphenyl) Piperidine-2,6-Dione within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn201 b:40.6 occ:1.00 SG C:CYS27 2.3 42.7 1.0 SG C:CYS24 2.3 58.7 1.0 SG C:CYS93 2.4 48.5 1.0 SG C:CYS90 2.4 43.8 1.0 CB C:CYS24 3.1 59.8 1.0 CB C:CYS90 3.2 50.3 1.0 CB C:CYS93 3.3 46.9 1.0 CB C:CYS27 3.4 46.7 1.0 N C:CYS93 3.7 51.5 1.0 N C:CYS27 3.8 52.3 1.0 CA C:CYS93 4.0 50.6 1.0 CA C:CYS27 4.1 50.0 1.0 CB C:GLN29 4.4 42.1 1.0 CB C:GLN92 4.5 41.0 1.0 CB C:SER95 4.6 56.6 1.0 CA C:CYS24 4.6 58.7 1.0 CB C:GLN26 4.6 56.9 1.0 CA C:CYS90 4.6 53.1 1.0 N C:GLY28 4.7 44.7 1.0 C C:CYS93 4.7 53.5 1.0 C C:CYS27 4.7 48.2 1.0 C C:GLN26 4.7 53.8 1.0 N C:GLY94 4.7 53.3 1.0 C C:GLN92 4.7 50.3 1.0 N C:GLN29 4.8 43.4 1.0 N C:SER95 4.8 54.5 1.0 N C:GLN26 4.9 50.9 1.0 CA C:GLN26 5.0 54.2 1.0

L.J.Alcock, Y.Chang, J.A.Jarusiewicz, M.Actis, S.Nithianantham, A.Mayasundari, J.Min, D.Maxwell, J.Hunt, B.Smart, J.J.Yang, G.Nishiguchi, M.Fischer, C.G.Mullighan, Z.Rankovic. Development of Potent and Selective Janus Kinase 2/3 Directing Pg-Protacs. Acs Med.Chem.Lett. V. 13 475 2022.
ISSN: ISSN 1948-5875
PubMed: 35300081
DOI: 10.1021/ACSMEDCHEMLETT.1C00650