MolNFT v1 · #119915 · protein
Gads SH2 DOMAIN/CD28-derived peptide complex
5GJH · GRB2-related adapter protein 2: “Gads SH2 DOMAIN/CD28-derived peptide complex”. X-ray diffraction, 2 pockets (best druggability 0.51). MolNFT v1 #119915 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5GJH
- Type
- protein
- Length
- 209 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GRB2-related adapter protein 2; T-cell-specific surface glycoprotein CD28
- UniProt
- O75791, P10747
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GRB2-related adapter protein 2 | protein | 97 | 20% helix, 25% strand | O75791 |
| B, D | T-cell-specific surface glycoprotein CD28 | protein | 8 | 0% helix, 0% strand | P10747 |
| C | GRB2-related adapter protein 2 | protein | 96 | 20% helix, 27% strand | O75791 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.51 | 0.84 | 17 | empty |
| 2 | 69 | 0.29 | 0.73 | 16 | empty |
Interfaces
3 interfaces between chains.
- C–D · 513 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 492 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 376 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 5GJH · Gads SH2 domain/CD28-derived peptide complex · the same entry in another collection · chain D against D, TM-score 1.00
- O75791 · AlphaFold monomer V2.0 prediction for GRB2-related adapter protein 2 (O75791) · a predicted model of the same protein · chain C against A, TM-score 0.95
- P10747 · AlphaFold monomer V2.0 prediction for T-cell-specific surface glycoprotein CD28 (P10747) · a predicted model of the same protein · chain D against A, TM-score 0.49
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 O75791
- Every structure of UniProt P10747
- Elsewhere: RCSB PDB 5GJH · PDBe 5GJH · UniProt O75791 · UniProt P10747
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