Zinc in PDB 8qng: Crystal Structure of the E3 Ubiquitin Ligase Cbl-B with An Allosteric Inhibitor (Benzodiazepine Hts Hit Compound 1)

The structure of Crystal Structure of the E3 Ubiquitin Ligase Cbl-B with An Allosteric Inhibitor (Benzodiazepine Hts Hit Compound 1), PDB code: 8qng was solved by M.Schimpl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.94 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.578, 72.045, 94.786, 90, 90, 90
R / Rfree (%)	21.9 / 29.5

The structure of Crystal Structure of the E3 Ubiquitin Ligase Cbl-B with An Allosteric Inhibitor (Benzodiazepine Hts Hit Compound 1) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Crystal Structure of the E3 Ubiquitin Ligase Cbl-B with An Allosteric Inhibitor (Benzodiazepine Hts Hit Compound 1) (pdb code 8qng). 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 the E3 Ubiquitin Ligase Cbl-B with An Allosteric Inhibitor (Benzodiazepine Hts Hit Compound 1), PDB code: 8qng:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the E3 Ubiquitin Ligase Cbl-B with An Allosteric Inhibitor (Benzodiazepine Hts Hit Compound 1)


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 the E3 Ubiquitin Ligase Cbl-B with An Allosteric Inhibitor (Benzodiazepine Hts Hit Compound 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:49.6 occ:1.00 SG A:CYS376 2.2 60.8 1.0 SG A:CYS396 2.3 60.9 1.0 SG A:CYS393 2.3 61.9 1.0 SG A:CYS373 2.8 69.2 1.0 CB A:CYS376 3.0 61.4 1.0 CB A:CYS396 3.2 61.6 1.0 CB A:CYS373 3.4 68.2 1.0 N A:CYS376 3.6 63.6 1.0 CB A:CYS393 3.6 63.2 1.0 CA A:CYS376 3.9 61.7 1.0 N A:CYS396 4.1 61.4 1.0 CA A:CYS396 4.2 62.2 1.0 N A:CYS393 4.3 66.2 1.0 CA A:CYS393 4.4 64.4 1.0 OD1 A:ASN379 4.6 62.6 1.0 CB A:ILE375 4.7 66.8 1.0 CB A:ASN379 4.7 58.0 1.0 C A:ILE375 4.7 65.6 1.0 O A:CYS393 4.7 63.5 1.0 CA A:CYS373 4.8 68.3 1.0 C A:CYS376 4.8 60.9 1.0 N A:ALA377 4.8 60.0 1.0 O A:CYS373 4.8 69.5 1.0 C A:CYS393 4.9 63.5 1.0 O A:ASN379 4.9 57.9 1.0 N A:ASN379 5.0 57.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the E3 Ubiquitin Ligase Cbl-B with An Allosteric Inhibitor (Benzodiazepine Hts Hit Compound 1)


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 the E3 Ubiquitin Ligase Cbl-B with An Allosteric Inhibitor (Benzodiazepine Hts Hit Compound 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn503 b:122.0 occ:1.00 SG A:CYS408 2.3 107.7 1.0 CB A:HIS390 2.6 84.8 1.0 SG A:CYS411 2.7 116.7 1.0 CB A:CYS388 2.8 86.6 1.0 CB A:CYS408 3.2 105.2 1.0 CG A:HIS390 3.5 88.4 1.0 ND1 A:HIS390 3.5 90.7 1.0 SG A:CYS388 3.5 93.4 1.0 N A:HIS390 3.6 82.7 1.0 CA A:HIS390 3.6 82.8 1.0 CA A:CYS388 4.1 85.1 1.0 C A:CYS388 4.3 84.9 1.0 CB A:CYS411 4.3 112.0 1.0 N A:CYS411 4.5 109.7 1.0 O A:HIS390 4.5 81.5 1.0 C A:HIS390 4.6 80.9 1.0 N A:GLY389 4.6 84.3 1.0 O A:CYS388 4.6 85.0 1.0 CA A:CYS408 4.7 105.1 1.0 CE1 A:HIS390 4.8 91.4 1.0 CD2 A:HIS390 4.8 89.9 1.0 C A:GLY389 4.8 83.3 1.0 CD2 A:PHE410 4.8 109.9 1.0 CB A:PHE410 4.8 108.7 1.0 CB A:CYS413 4.9 110.3 1.0 CA A:CYS411 5.0 110.6 1.0

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