MolNFT v1 · #93002 · protein
Structure of CBL(TKB) bound to a phosphorylated pentapeptide
4GPL · ACE-ptr-thr-pro-glu-pro, peptide inhibitor: “Structure of CBL(TKB) bound to a phosphorylated pentapeptide”. X-ray diffraction, 2 ligands (ACE, NH2), 3 pockets (best druggability 0.59). MolNFT v1 #93002 on GenesisL1: 3D structure…
- PDB
- 4GPL
- Type
- protein
- Length
- 310 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ACE-ptr-thr-pro-glu-pro, peptide inhibitor; E3 ubiquitin-protein ligase cbl
- EC
- 6.3.2.-
- UniProt
- P22681
- Ligands
- ACE, NH2
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ACE-ptr-thr-pro-glu-pro, peptide inhibitor | protein | 5 | 0% helix, 0% strand | — |
| B | E3 ubiquitin-protein ligase cbl (EC 6.3.2.-) | protein | 305 | 55% helix, 8% strand | P22681 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 195 | 0.59 | 0.81 | 28 | empty |
| 2 | 78 | 0.45 | 0.81 | 17 | empty |
| 3 | 73 | 0.30 | 0.73 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 510 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, phosphorylation).
Compared structures
- 4GPL · Structure of Cbl(TKB) bound to a phosphorylated pentapeptide · 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 B against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P22681
- Elsewhere: RCSB PDB 4GPL · PDBe 4GPL · UniProt P22681
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.