MolNFT v1 · #180135 · protein
Crystal structure of IL21R in complex with an antibody Fab fragment
7KQ7 · Antibody heavy chain: “Crystal structure of IL21R in complex with an antibody Fab fragment”. X-ray diffraction, 4 pockets (best druggability 0.65). MolNFT v1 #180135 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KQ7
- Type
- protein
- Length
- 637 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody heavy chain; Antibody light chain; Interleukin-21 receptor
- UniProt
- Q9HBE5
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Antibody heavy chain | protein | 212 | 11% helix, 51% strand | — |
| L | Antibody light chain | protein | 217 | 6% helix, 51% strand | — |
| B | Interleukin-21 receptor | protein | 208 | 4% helix, 45% strand | Q9HBE5 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 710 | 0.65 | 0.74 | 59 | empty |
| 2 | 362 | 0.57 | 0.75 | 42 | empty |
| 3 | 54 | 0.33 | 0.78 | 20 | empty |
| 4 | 62 | 0.31 | 0.75 | 14 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1736 Ų buried · 14 hydrogen bonds · protein-protein
- H–B · 672 Ų buried · 12 hydrogen bonds · protein-protein
- L–B · 422 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 7KQ7 · Crystal structure of IL21R in complex with an antibody Fab fragment · the same entry in another collection · chain H against H, TM-score 1.00
- Q9HBE5 · AlphaFold monomer V2.0 prediction for interleukin-21 receptor (Q9HBE5) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q9HBE5
- Elsewhere: RCSB PDB 7KQ7 · PDBe 7KQ7 · UniProt Q9HBE5
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