Research workbench
Conformational changes in the (ala-84-val) mutant of tumor necrosis factor
Analyse Conformational changes in the (ala-84-val) mutant of tumor necrosis factor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2TUN
- Type
- protein
- Length
- 906 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tumor necrosis factor-alpha
- UniProt
- P01375
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Tumor necrosis factor-alpha | protein | 151 | 2% helix, 42% strand | P01375 |
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 218 | 0.78 | 0.93 | 32 | empty |
| 2 | 72 | 0.76 | 0.99 | 19 | empty |
| 3 | 79 | 0.76 | 0.98 | 20 | empty |
| 4 | 299 | 0.74 | 0.87 | 35 | empty |
| 5 | 62 | 0.74 | 0.98 | 24 | empty |
Interfaces
7 interfaces between chains.
- D–E · 1292 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 1271 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1254 Ų buried · 11 hydrogen bonds · protein-protein
- D–F · 1171 Ų buried · 12 hydrogen bonds · protein-protein
- E–F · 1122 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 2TUN · Conformational changes in the (ala-84-val) mutant of tumor necrosis factor · the same entry in another collection · chain A against A, TM-score 1.00
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 P01375
- Elsewhere: RCSB PDB 2TUN · PDBe 2TUN · UniProt P01375
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