MolNFT v1 · #127187 · protein
Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 7.5
5MP1 · Antibody Fab heavy chain: “Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 7.5”. X-ray diffraction, 16 pockets (best druggability 0.70). MolNFT v1 #127187 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5MP1
- Type
- protein
- Length
- 1,758 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody Fab heavy chain; Antibody Fab light chain; Microtubule-associated protein tau
- UniProt
- P10636
- Pockets
- 16 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H, F | Antibody Fab heavy chain | protein | 215 | 7% helix, 53% strand | — |
| L, D, G, K | Antibody Fab light chain | protein | 218 | 6% helix, 53% strand | — |
| A, B, E, I | Microtubule-associated protein tau | protein | 7 | 0% helix, 0% strand | P10636 |
| C, J | Antibody Fab heavy chain | protein | 214 | 7% helix, 52% strand | — |
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 667 | 0.70 | 0.77 | 68 | empty |
| 2 | 393 | 0.67 | 0.80 | 36 | empty |
| 3 | 762 | 0.66 | 0.74 | 68 | empty |
| 4 | 745 | 0.66 | 0.74 | 66 | empty |
| 5 | 704 | 0.65 | 0.74 | 71 | empty |
Interfaces
23 interfaces between chains.
- H–L · 1780 Ų buried · 20 hydrogen bonds · protein-protein
- F–G · 1777 Ų buried · 20 hydrogen bonds · protein-protein
- J–K · 1773 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1743 Ų buried · 18 hydrogen bonds · protein-protein
- H–J · 378 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 5MP1 · Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 7.5 · the same entry in another collection · chain H against H, 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 5MP1 · PDBe 5MP1 · UniProt P10636
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