Zinc in PDB 8qtg: Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 9)

The structure of Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 9), PDB code: 8qtg was solved by M.Schimpl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.30 / 1.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.641, 74.538, 97.802, 90, 90, 90
R / Rfree (%)	20.7 / 24.3

The structure of Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 9) 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 9) (pdb code 8qtg). 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 9), PDB code: 8qtg:
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 9)


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 9) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:13.5 occ:1.00 SG A:CYS396 2.3 14.6 1.0 SG A:CYS373 2.3 14.0 1.0 SG A:CYS376 2.3 15.0 1.0 SG A:CYS393 2.3 15.0 1.0 CB A:CYS373 3.1 13.6 1.0 CB A:CYS396 3.2 14.2 1.0 CB A:CYS376 3.3 15.2 1.0 CB A:CYS393 3.5 14.1 1.0 N A:CYS376 3.7 15.9 1.0 N A:CYS393 4.0 14.1 1.0 CA A:CYS376 4.1 15.1 1.0 N A:CYS396 4.3 14.8 1.0 CA A:CYS393 4.3 14.3 1.0 CA A:CYS396 4.3 14.1 1.0 CB A:ILE375 4.5 18.1 1.0 CA A:CYS373 4.5 14.2 1.0 ND2 A:ASN379 4.5 22.1 1.0 O A:CYS393 4.6 14.4 1.0 CB A:ASN379 4.7 16.8 1.0 C A:ILE375 4.7 17.4 1.0 O A:ASN379 4.8 16.3 1.0 C A:CYS393 4.8 14.9 1.0 C A:CYS373 4.8 14.6 1.0 N A:ILE375 4.9 17.0 1.0 O A:CYS373 4.9 14.4 1.0 CA A:ILE375 4.9 17.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 9)


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 9) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn503 b:20.2 occ:1.00 ND1 A:HIS390 2.0 27.7 1.0 SG A:CYS388 2.2 22.2 1.0 SG A:CYS411 2.3 28.3 1.0 SG A:CYS408 2.3 23.0 1.0 CE1 A:HIS390 2.9 28.8 1.0 CB A:CYS408 3.0 25.6 1.0 CG A:HIS390 3.1 25.7 1.0 CB A:CYS388 3.1 24.1 1.0 CB A:CYS411 3.4 29.6 1.0 CB A:HIS390 3.5 22.0 1.0 N A:CYS411 3.8 30.7 1.0 NE2 A:HIS390 4.1 28.9 1.0 CD2 A:HIS390 4.2 27.7 1.0 CA A:CYS411 4.2 31.0 1.0 N A:HIS390 4.5 20.5 1.0 CA A:CYS408 4.5 26.4 1.0 CB A:PHE410 4.5 30.3 1.0 CA A:CYS388 4.5 23.7 1.0 CA A:HIS390 4.6 20.0 1.0 O A:HOH793 4.7 25.6 1.0 C A:PHE410 4.7 31.3 1.0 C A:CYS388 4.8 23.4 1.0 N A:PHE410 4.9 30.2 1.0 C A:CYS411 4.9 33.2 1.0 CA A:PHE410 5.0 30.6 1.0 C A:CYS408 5.0 27.1 1.0

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