Zinc in PDB 8qtj: Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 30)

The structure of Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 30), PDB code: 8qtj was solved by M.Schimpl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.77 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.127, 75.159, 98.033, 90, 90, 90
R / Rfree (%)	20.4 / 23.2

The structure of Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 30) also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Zinc atom in the Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 30) (pdb code 8qtj). 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 Cbl-B in Complex with An Allosteric Inhibitor (Compound 30), PDB code: 8qtj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 30)


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 Cbl-B in Complex with An Allosteric Inhibitor (Compound 30) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:22.1 occ:1.00 SG A:CYS396 2.3 20.8 1.0 SG A:CYS373 2.3 21.3 1.0 SG A:CYS393 2.4 24.4 1.0 SG A:CYS376 2.4 22.8 1.0 CB A:CYS373 3.1 21.4 1.0 CB A:CYS396 3.2 23.4 1.0 CB A:CYS376 3.4 23.3 1.0 CB A:CYS393 3.6 21.4 1.0 N A:CYS376 3.7 23.8 1.0 N A:CYS393 4.0 21.3 1.0 CA A:CYS376 4.2 23.8 1.0 N A:CYS396 4.3 23.0 1.0 CA A:CYS393 4.3 21.6 1.0 CA A:CYS396 4.3 22.4 1.0 CA A:CYS373 4.5 21.8 1.0 CB A:ILE375 4.5 26.7 1.0 O A:CYS393 4.6 21.7 1.0 ND2 A:ASN379 4.6 32.1 1.0 CB A:ASN379 4.7 26.7 1.0 C A:ILE375 4.7 25.1 1.0 C A:CYS393 4.8 22.2 1.0 O A:ASN379 4.8 25.6 1.0 C A:CYS373 4.8 21.8 1.0 O A:CYS373 4.9 20.6 1.0 N A:ILE375 4.9 24.4 1.0 CA A:ILE375 4.9 25.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 30)


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 Cbl-B in Complex with An Allosteric Inhibitor (Compound 30) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:32.5 occ:1.00 ND1 A:HIS390 1.9 39.0 1.0 SG A:CYS388 2.3 37.6 1.0 SG A:CYS411 2.4 43.1 1.0 SG A:CYS408 2.4 34.6 1.0 CE1 A:HIS390 2.8 40.3 1.0 CG A:HIS390 3.0 37.2 1.0 CB A:CYS408 3.0 36.9 1.0 CB A:CYS388 3.2 39.1 1.0 CB A:CYS411 3.5 43.5 1.0 CB A:HIS390 3.5 32.5 1.0 N A:CYS411 3.9 42.9 1.0 NE2 A:HIS390 4.0 41.5 1.0 CD2 A:HIS390 4.1 40.1 1.0 CA A:CYS411 4.2 44.0 1.0 N A:HIS390 4.5 30.0 1.0 CA A:CYS408 4.5 37.7 1.0 CA A:CYS388 4.6 37.4 1.0 CB A:PHE410 4.6 39.6 1.0 CA A:HIS390 4.6 30.1 1.0 C A:PHE410 4.8 42.6 1.0 C A:CYS388 4.9 36.6 1.0 C A:CYS411 5.0 46.3 1.0 N A:PHE410 5.0 39.6 1.0

A.M.Mfuh, M.Schimpl. N/A N/A.