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Structure of C-cbl-zap-70 peptide complex

Analyse Structure of C-cbl-zap-70 peptide complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2Y1N
Type
protein
Length
775 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
E3 ubiquitin-protein ligase; Tyrosine-protein kinase zap-70 zap-70,70 kda zeta-associated…
EC
6.3.2.-, 2.7.10.2
UniProt
P22681, P43403
Ligands
ZN, CA
Pockets
10 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 51% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AE3 ubiquitin-protein ligase (EC 6.3.2.-)protein37752% helix, 10% strandP22681
B, DTyrosine-protein kinase zap-70 zap-70,70 kda zeta-associated protein, syk-related tyrosine kinase (EC 2.7.10.2)protein90% helix, 11% strandP43403
CE3 ubiquitin-protein ligase (EC 6.3.2.-)protein38050% helix, 10% strandP22681

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, C
  • CA · Calcium ion · metal · 2 copies · chains A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1680.720.9724empty
2520.700.9818empty
33520.670.8140empty
43940.650.7942empty
5570.620.9317empty

Interfaces

3 interfaces between chains.

  • A–B · 662 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 643 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 502 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

  • 2Y1N · Structure of c-Cbl-ZAP-70 peptide complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P22681 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase cbl (P22681) · a predicted model of the same protein · chain A against A, TM-score 0.83
  • P43403 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase zap-70 (P43403) · a predicted model of the same protein · chain B against A, TM-score 0.41

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