Research workbench
Structure of tau peptide in complex with TAU5 antibody Fab fragment
Analyse Structure of tau peptide in complex with TAU5 antibody Fab fragment in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4TQE
- Type
- protein
- Length
- 454 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- If kappa light chain; Fab heavy chain; Microtubule-associated protein tau
- UniProt
- A2NHM3, P10636
- Ligands
- NA, SO4
- Pockets
- 5 · best druggability 0.58
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | If kappa light chain | protein | 218 | 6% helix, 52% strand | A2NHM3 |
| H | Fab heavy chain | protein | 220 | 10% helix, 54% strand | — |
| A | Microtubule-associated protein tau | protein | 16 | 0% helix, 6% strand | P10636 |
Ligands and binding sites
- NA · Sodium ion · metal · 4 copies · chains L, H
- SO4 · Sulfate ion · ion · 5 copies · chains L, H
- PGE · Triethylene glycol · additive · chains L, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 504 | 0.58 | 0.73 | 59 | PGE |
| 2 | 127 | 0.42 | 0.76 | 21 | empty |
| 3 | 130 | 0.40 | 0.75 | 23 | empty |
| 4 | 98 | 0.38 | 0.76 | 22 | empty |
| 5 | 81 | 0.38 | 0.77 | 19 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1726 Ų buried · 13 hydrogen bonds · protein-protein
- H–A · 710 Ų buried · 11 hydrogen bonds · protein-protein
- L–A · 291 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4TQE · Structure of tau peptide in complex with Tau5 antibody Fab fragment · the same entry in another collection · chain L against L, 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 A2NHM3
- Every structure of UniProt P10636
- Elsewhere: RCSB PDB 4TQE · PDBe 4TQE · UniProt A2NHM3 · UniProt P10636
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