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

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

Resolution Low / High (Å)	41.45 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.65, 74.92, 98.58, 90, 90, 90
R / Rfree (%)	22.3 / 26

The structure of Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 8) also contains other interesting chemical elements:

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

The binding sites of Zinc atom in the Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 8) (pdb code 8qth). 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 8), PDB code: 8qth:
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 8)


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 8) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:58.8 occ:1.00 SG A:CYS373 2.3 65.1 1.0 SG A:CYS393 2.4 67.7 1.0 SG A:CYS396 2.4 67.3 1.0 SG A:CYS376 2.4 64.7 1.0 CB A:CYS373 3.0 67.6 1.0 CB A:CYS396 3.3 66.5 1.0 CB A:CYS376 3.4 64.0 1.0 CB A:CYS393 3.6 65.9 1.0 N A:CYS376 3.7 64.3 1.0 N A:CYS393 4.0 65.1 1.0 CA A:CYS376 4.2 64.1 1.0 CA A:CYS393 4.3 65.3 1.0 N A:CYS396 4.3 66.6 1.0 CB A:ILE375 4.4 65.0 1.0 CA A:CYS396 4.4 66.6 1.0 CA A:CYS373 4.4 68.4 1.0 ND2 A:ASN379 4.5 73.2 1.0 O A:CYS393 4.6 64.9 1.0 C A:ILE375 4.7 65.3 1.0 C A:CYS373 4.8 68.2 1.0 N A:ILE375 4.8 65.6 1.0 C A:CYS393 4.8 65.3 1.0 CB A:ASN379 4.8 68.1 1.0 CA A:ILE375 4.9 65.2 1.0 O A:ASN379 4.9 66.8 1.0 O A:CYS373 4.9 68.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 8)


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 8) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn503 b:76.7 occ:1.00 ND1 A:HIS390 1.9 75.8 1.0 SG A:CYS388 2.2 72.9 1.0 SG A:CYS408 2.5 85.0 1.0 SG A:CYS411 2.6 94.8 1.0 CE1 A:HIS390 2.9 76.4 1.0 CG A:HIS390 3.0 73.8 1.0 CB A:CYS388 3.1 76.6 1.0 CB A:CYS408 3.1 85.1 1.0 CB A:HIS390 3.4 71.0 1.0 CB A:CYS411 3.6 91.8 1.0 N A:CYS411 3.8 90.2 1.0 NE2 A:HIS390 4.0 76.5 1.0 CD2 A:HIS390 4.1 75.0 1.0 N A:HIS390 4.3 70.2 1.0 CA A:CYS411 4.3 91.7 1.0 CA A:CYS388 4.5 77.1 1.0 CA A:HIS390 4.5 69.6 1.0 CB A:PHE410 4.5 87.1 1.0 CA A:CYS408 4.6 86.0 1.0 C A:CYS388 4.7 76.1 1.0 C A:PHE410 4.8 89.3 1.0

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