MolNFT v1 · #120992 · protein
Inhibiting complex il-17A and il-17RA interactions with a linear peptide
5HHX · Interleukin-17A: “Inhibiting complex il-17A and il-17RA interactions with a linear peptide”. X-ray diffraction, 6 pockets (best druggability 0.59). MolNFT v1 #120992 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5HHX
- Type
- protein
- Length
- 542 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interleukin-17A; Cat-2000 Fab heavy chain; Il-17A peptide inhibitor; Cat-2000 Fab light…
- UniProt
- Q16552
- Pockets
- 6 · best druggability 0.59
Structure
x-ray diffraction · 5 distinct chains · 9% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interleukin-17A | protein | 90 | 9% helix, 57% strand | Q16552 |
| B | Interleukin-17A | protein | 10 | 0% helix, 50% strand | Q16552 |
| H | Cat-2000 Fab heavy chain | protein | 215 | 8% helix, 51% strand | — |
| I | Il-17A peptide inhibitor | protein | 14 | 50% helix, 36% strand | — |
| L | Cat-2000 Fab light chain | protein | 213 | 8% helix, 48% 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 | 228 | 0.59 | 0.80 | 38 | empty |
| 2 | 269 | 0.50 | 0.74 | 37 | empty |
| 3 | 113 | 0.38 | 0.75 | 25 | empty |
| 4 | 95 | 0.35 | 0.74 | 26 | empty |
| 5 | 69 | 0.30 | 0.74 | 19 | empty |
Interfaces
6 interfaces between chains.
- H–L · 1761 Ų buried · 18 hydrogen bonds · protein-protein
- B–I · 409 Ų buried · 9 hydrogen bonds · protein-protein
- A–L · 334 Ų buried · 3 hydrogen bonds · protein-protein
- A–I · 311 Ų buried · 7 hydrogen bonds · protein-protein
- A–H · 282 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- Q16552 · AlphaFold monomer V2.0 prediction for interleukin-17A (Q16552) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 Q16552
- Elsewhere: RCSB PDB 5HHX · PDBe 5HHX · UniProt Q16552
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