MolNFT v1 · #94310 · protein
Human tweak in complex with the Fab fragment of a neutralizing antibody
4HT1 · Tumor necrosis factor ligand superfamily member 12: “Human tweak in complex with the Fab fragment of a neutralizing antibody”. X-ray diffraction, 5 pockets (best druggability 0.63). MolNFT v1 #94310 on GenesisL1: 3D structure…
- PDB
- 4HT1
- Type
- protein
- Length
- 558 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tumor necrosis factor ligand superfamily member 12; Chimeric antibody Fab
- UniProt
- O43508
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 4% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| T | Tumor necrosis factor ligand superfamily member 12 | protein | 131 | 0% helix, 55% strand | O43508 |
| H | Chimeric antibody Fab | protein | 210 | 6% helix, 50% strand | — |
| L | Chimeric antibody Fab | protein | 217 | 6% helix, 50% strand | — |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 302 | 0.63 | 0.80 | 65 | empty |
| 2 | 501 | 0.59 | 0.74 | 62 | empty |
| 3 | 75 | 0.43 | 0.80 | 20 | empty |
| 4 | 57 | 0.27 | 0.73 | 19 | empty |
| 5 | 51 | 0.26 | 0.74 | 16 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1597 Ų buried · 8 hydrogen bonds · protein-protein
- T–H · 475 Ų buried · 9 hydrogen bonds · protein-protein
- T–L · 444 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 4HT1 · Human TWEAK in complex with the Fab fragment of a neutralizing antibody · the same entry in another collection · chain T against T, TM-score 1.00
- O43508 · AlphaFold monomer V2.0 prediction for tumor necrosis factor ligand superfamily member 12… · a predicted model of the same protein · chain T against A, TM-score 0.98
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 O43508
- Elsewhere: RCSB PDB 4HT1 · PDBe 4HT1 · UniProt O43508
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