MolNFT v1 · #127191 · protein
Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 6.5
5MP5 · Antibody Fab heavy chain: “Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 6.5”. X-ray diffraction, 20 pockets (best druggability 0.77). MolNFT v1 #127191 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5MP5
- Type
- protein
- Length
- 1,764 residues
- Chains
- 11
- 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
- 20 · best druggability 0.77
Structure
x-ray diffraction · 9 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antibody Fab heavy chain | protein | 218 | 7% helix, 52% strand | — |
| B | Antibody Fab light chain | protein | 217 | 6% helix, 53% strand | — |
| C | Antibody Fab heavy chain | protein | 220 | 7% helix, 53% strand | — |
| D, L | Antibody Fab light chain | protein | 218 | 6% helix, 52% strand | — |
| E | Antibody Fab heavy chain | protein | 218 | 4% helix, 51% strand | — |
| F | Antibody Fab light chain | protein | 216 | 6% helix, 51% strand | — |
| H | Antibody Fab heavy chain | protein | 219 | 7% helix, 53% strand | — |
| I, K | Microtubule-associated protein tau | protein | 7 | 0% helix, 0% strand | P10636 |
| J | Microtubule-associated protein tau | protein | 6 | 0% helix, 0% strand | P10636 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 645 | 0.77 | 0.83 | 98 | empty |
| 2 | 392 | 0.71 | 0.83 | 44 | empty |
| 3 | 308 | 0.68 | 0.82 | 43 | empty |
| 4 | 186 | 0.66 | 0.85 | 35 | empty |
| 5 | 683 | 0.65 | 0.75 | 61 | empty |
Interfaces
23 interfaces between chains.
- H–L · 1833 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1816 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 1810 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1741 Ų buried · 13 hydrogen bonds · protein-protein
- C–L · 322 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 4 modified (disulfide, cyclization).
Compared structures
- 5MP5 · Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 6.5 · 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 5MP5 · PDBe 5MP5 · UniProt P10636
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