Research workbench
Inhibitory immune receptor protein complex
Analyse Inhibitory immune receptor protein complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7LLJ
- Type
- protein
- Length
- 1,618 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.15
- Source
- Homo sapiens
- Molecule
- T cell receptor gamma variable 8; T cell receptor delta variable 3; Major…
- UniProt
- Q95460, P61769
- Ligands
- 30W
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · resolution 3.15 · 7 distinct chains · 13% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| K | T cell receptor gamma variable 8 | protein | 236 | 6% helix, 47% strand | — |
| L | T cell receptor delta variable 3 | protein | 211 | 4% helix, 43% strand | — |
| C | Major histocompatibility complex class I-related gene protein | protein | 263 | 28% helix, 37% strand | Q95460 |
| D, F | Beta-2-microglobulin | protein | 97 | 0% helix, 40% strand | P61769 |
| A | T cell receptor gamma variable 8 | protein | 237 | 6% helix, 48% strand | — |
| B | T cell receptor delta variable 3 | protein | 212 | 3% helix, 43% strand | — |
| E | Major histocompatibility complex class I-related gene protein | protein | 265 | 28% helix, 36% strand | Q95460 |
Ligands and binding sites
- 30W · N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide · ligand · 2 copies · chains C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1144 | 0.76 | 0.79 | 83 | empty |
| 2 | 1006 | 0.75 | 0.78 | 84 | empty |
| 3 | 780 | 0.73 | 0.78 | 79 | 30W |
| 4 | 658 | 0.72 | 0.79 | 76 | 30W |
| 5 | 756 | 0.71 | 0.77 | 75 | empty |
Interfaces
11 interfaces between chains.
- K–L · 2539 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 2440 Ų buried · 22 hydrogen bonds · protein-protein
- E–F · 1226 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 1224 Ų buried · 16 hydrogen bonds · protein-protein
- B–E · 739 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 2 covalent (disulfide, covalent ligand).
Compared structures
- 7LLJ · Inhibitory immune receptor protein complex · the same entry in another collection · chain L against L, TM-score 1.00
- P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain D against A, TM-score 0.97
- Q95460 · AlphaFold monomer V2.0 prediction for major histocompatibility complex class I-related… · a predicted model of the same protein · chain C against A, TM-score 0.94
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 Q95460
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 7LLJ · PDBe 7LLJ · UniProt Q95460 · UniProt P61769
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