MolNFT v1 · #126020 · protein
Complex structure of human IL2 mutant, proleukin, with Fab fragment of NARA1 antibody
5LQB · Interleukin-2: “Complex structure of human IL2 mutant, proleukin, with Fab fragment of NARA1 antibody”. X-ray diffraction, 6 pockets (best druggability 0.55). MolNFT v1 #126020 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5LQB
- Type
- protein
- Length
- 564 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interleukin-2; Anti-HIL2 Fab fragment heavy chain; Anti-HIL2 Fab fragment light chain
- UniProt
- P60568
- Pockets
- 6 · best druggability 0.55
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interleukin-2 | protein | 128 | 63% helix, 3% strand | P60568 |
| H | Anti-HIL2 Fab fragment heavy chain | protein | 219 | 7% helix, 53% strand | — |
| L | Anti-HIL2 Fab fragment light chain | protein | 217 | 6% helix, 56% strand | — |
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 | 348 | 0.55 | 0.74 | 51 | empty |
| 2 | 154 | 0.48 | 0.78 | 26 | empty |
| 3 | 131 | 0.44 | 0.76 | 22 | empty |
| 4 | 147 | 0.43 | 0.75 | 22 | empty |
| 5 | 62 | 0.42 | 0.82 | 22 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1903 Ų buried · 16 hydrogen bonds · protein-protein
- A–H · 617 Ų buried · 8 hydrogen bonds · protein-protein
- A–L · 434 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 5LQB · Complex structure of human IL2 mutant, Proleukin, with Fab fragment of NARA1 antibody · the same entry in another collection · chain A against A, TM-score 1.00
- P60568 · AlphaFold monomer V2.0 prediction for interleukin-2 (P60568) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P60568
- Elsewhere: RCSB PDB 5LQB · PDBe 5LQB · UniProt P60568
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