MolNFT v1 · #6159 · protein
Human interleukin-12
1F45 · Interleukin-12 beta chain: “Human interleukin-12”. X-ray diffraction, 2 ligands (NAG, MAN), 5 pockets (best druggability 0.39). MolNFT v1 #6159 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1F45
- Type
- protein
- Length
- 415 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interleukin-12 beta chain; Interleukin-12 alpha chain
- UniProt
- P29460, P29459
- Ligands
- NAG, MAN
- Pockets
- 5 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interleukin-12 beta chain | protein | 282 | 2% helix, 46% strand | P29460 |
| B | Interleukin-12 alpha chain | protein | 133 | 74% helix, 2% strand | P29459 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 70 | 0.39 | 0.79 | 18 | empty |
| 2 | 131 | 0.39 | 0.74 | 20 | empty |
| 3 | 55 | 0.34 | 0.77 | 13 | empty |
| 4 | 84 | 0.30 | 0.72 | 15 | empty |
| 5 | 70 | 0.30 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1012 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 1F45 · Human interleukin-12 · the same entry in another collection · chain A against A, TM-score 1.00
- P29460 · AlphaFold monomer V2.0 prediction for interleukin-12 subunit beta (P29460) · a predicted model of the same protein · chain A against A, TM-score 0.97
- P29459 · AlphaFold monomer V2.0 prediction for interleukin-12 subunit alpha (P29459) · a predicted model of the same protein · chain B against A, TM-score 0.77
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 P29460
- Every structure of UniProt P29459
- Elsewhere: RCSB PDB 1F45 · PDBe 1F45 · UniProt P29460 · UniProt P29459
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