MolNFT v1 · #83616 · protein
Crystal structure of human interleukin-18
3WO2: “Crystal structure of human interleukin-18”. X-ray diffraction, 2 ligands (CPS, SO4), 5 pockets (best druggability 0.69). MolNFT v1 #83616 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3WO2
- Type
- protein
- Length
- 627 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interleukin-18
- UniProt
- Q14116
- Ligands
- CPS, SO4
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Interleukin-18 | protein | 157 | 10% helix, 50% strand | Q14116 |
| B | Interleukin-18 | protein | 156 | 10% helix, 50% strand | Q14116 |
Ligands and binding sites
- CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · 12 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 438 | 0.69 | 0.80 | 47 | empty |
| 2 | 566 | 0.69 | 0.78 | 60 | empty |
| 3 | 376 | 0.65 | 0.79 | 50 | empty |
| 4 | 116 | 0.41 | 0.75 | 17 | empty |
| 5 | 78 | 0.33 | 0.75 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–C · 635 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 530 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 316 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
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 Q14116
- Elsewhere: RCSB PDB 3WO2 · PDBe 3WO2 · UniProt Q14116
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