MolNFT v1 · #10430 · protein
Complex of the interleukin-1 receptor with the interleukin-1 receptor antagonist (IL1RA)
1IRA: “Complex of the interleukin-1 receptor with the interleukin-1 receptor antagonist (IL1RA)”. X-ray diffraction, 1 ligand (NAG), 6 pockets (best druggability 0.72). MolNFT v1 #10430 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1IRA
- Type
- protein
- Length
- 456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interleukin-1 receptor antagonist; Interleukin-1 receptor
- UniProt
- P18510, P14778
- Ligands
- NAG
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Interleukin-1 receptor antagonist | protein | 145 | 12% helix, 49% strand | P18510 |
| Y | Interleukin-1 receptor | protein | 311 | 7% helix, 49% strand | P14778 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains Y
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 265 | 0.72 | 0.86 | 45 | empty |
| 2 | 150 | 0.49 | 0.78 | 21 | empty |
| 3 | 93 | 0.44 | 0.79 | 17 | empty |
| 4 | 90 | 0.36 | 0.75 | 14 | empty |
| 5 | 60 | 0.36 | 0.78 | 11 | empty |
Interfaces
1 interface between chains.
- X–Y · 1779 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 1IRA · Complex of the interleukin-1 receptor with the interleukin-1 receptor antagonist (IL1RA) · the same entry in another collection · chain X against X, TM-score 1.00
- P18510 · AlphaFold monomer V2.0 prediction for interleukin-1 receptor antagonist protein (P18510) · a predicted model of the same protein · chain X against A, TM-score 0.99
- P14778 · AlphaFold monomer V2.0 prediction for interleukin-1 receptor type 1 (P14778) · a predicted model of the same protein · chain Y against A, TM-score 0.85
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 P18510
- Every structure of UniProt P14778
- Elsewhere: RCSB PDB 1IRA · PDBe 1IRA · UniProt P18510 · UniProt P14778
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