MolNFT v1 · #127153 · protein
Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 8.5
5MO3 · Microtubule-associated protein tau: “Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 8.5”. X-ray diffraction, 1 ligand (GLC), 4 pockets (best druggability 0.58). MolNFT v1 #127153 on GenesisL1: 3D…
- PDB
- 5MO3
- Type
- protein
- Length
- 446 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Microtubule-associated protein tau; Fab of monoclonal antibody, heavy chain; Fab of…
- UniProt
- P10636
- Ligands
- GLC
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Microtubule-associated protein tau | protein | 8 | 0% helix, 0% strand | P10636 |
| H | Fab of monoclonal antibody, heavy chain | protein | 220 | 8% helix, 52% strand | — |
| L | Fab of monoclonal antibody, light chain | protein | 218 | 6% helix, 53% strand | — |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains L
- PGE · Triethylene glycol · additive · 4 copies · chains H, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 419 | 0.58 | 0.75 | 53 | empty |
| 2 | 69 | 0.49 | 0.84 | 23 | empty |
| 3 | 171 | 0.45 | 0.75 | 29 | empty |
| 4 | 119 | 0.37 | 0.74 | 23 | PGE |
Interfaces
3 interfaces between chains.
- H–L · 1896 Ų buried · 18 hydrogen bonds · protein-protein
- A–H · 312 Ų buried · 6 hydrogen bonds · protein-protein
- A–L · 217 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 1 modified (disulfide, cyclization).
Compared structures
- 5MO3 · Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 8.5 · 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 P10636
- Elsewhere: RCSB PDB 5MO3 · PDBe 5MO3 · UniProt P10636
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