MolNFT v1 · #16846 · protein
IgE fv SPE7 complexed with a recombinant thioredoxin
1OAZ · Thioredoxin 1: “IgE fv SPE7 complexed with a recombinant thioredoxin”. X-ray diffraction, 6 pockets (best druggability 0.62). MolNFT v1 #16846 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1OAZ
- Type
- protein
- Length
- 690 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin 1; Immunoglobulin E
- UniProt
- P00274
- Pockets
- 6 · best druggability 0.62
Structure
x-ray diffraction · 3 distinct chains · 9% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Thioredoxin 1 | protein | 115 | 19% helix, 25% strand | P00274 |
| H, J | Immunoglobulin E | protein | 122 | 7% helix, 47% strand | — |
| L, N | Immunoglobulin E | protein | 108 | 0% helix, 54% strand | — |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 90 | 0.62 | 0.89 | 28 | empty |
| 2 | 254 | 0.57 | 0.78 | 35 | empty |
| 3 | 270 | 0.57 | 0.77 | 36 | empty |
| 4 | 62 | 0.31 | 0.76 | 17 | empty |
| 5 | 60 | 0.28 | 0.74 | 22 | empty |
Interfaces
6 interfaces between chains.
- J–N · 939 Ų buried · 10 hydrogen bonds · protein-protein
- H–L · 927 Ų buried · 9 hydrogen bonds · protein-protein
- A–H · 703 Ų buried · 8 hydrogen bonds · protein-protein
- B–J · 693 Ų buried · 8 hydrogen bonds · protein-protein
- B–N · 249 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1OAZ · IgE Fv SPE7 complexed with a recombinant thioredoxin · 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 P00274
- Elsewhere: RCSB PDB 1OAZ · PDBe 1OAZ · UniProt P00274
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