MolNFT v1 · #180147 · protein
Anti-ptau C21-abs Fab in complex with ptau peptide
7KQK · Heavy chain of Fab fragment: “Anti-ptau C21-abs Fab in complex with ptau peptide”. X-ray diffraction, 8 pockets (best druggability 0.55). MolNFT v1 #180147 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KQK
- Type
- protein
- Length
- 877 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heavy chain of Fab fragment; Light chain of Fab fragment; Ptau peptide
- Pockets
- 8 · best druggability 0.55
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, H | Heavy chain of Fab fragment | protein | 222 | 7% helix, 51% strand | — |
| B | Light chain of Fab fragment | protein | 206 | 6% helix, 52% strand | — |
| C, P | Ptau peptide | protein | 10 | 0% helix, 0% strand | — |
| L | Light chain of Fab fragment | protein | 207 | 6% helix, 51% strand | — |
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 403 | 0.55 | 0.74 | 57 | empty |
| 2 | 328 | 0.55 | 0.75 | 44 | empty |
| 3 | 211 | 0.49 | 0.75 | 41 | empty |
| 4 | 145 | 0.48 | 0.78 | 23 | empty |
| 5 | 59 | 0.38 | 0.80 | 18 | empty |
Interfaces
8 interfaces between chains.
- H–L · 1711 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1696 Ų buried · 17 hydrogen bonds · protein-protein
- H–P · 469 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 464 Ų buried · 16 hydrogen bonds · protein-protein
- A–L · 249 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide, 2 modified (disulfide, phosphorylation).
Compared structures
- 7KQK · anti-pTau C21-ABS Fab in complex with pTau peptide · 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
- Elsewhere: RCSB PDB 7KQK · PDBe 7KQK
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