MolNFT v1 · #143831 · protein
FAB/EPITOPE complex of mouse monoclonal antibody C5.2 targeting a phospho-tau epitope.
6BB4 · Mouse monoclonal antibody C5.2 Fab light chain: “FAB/EPITOPE complex of mouse monoclonal antibody C5.2 targeting a phospho-tau epitope.”. X-ray diffraction, 1 ligand (PO4), 13 pockets (best druggability 0.66). MolNFT v1 #143831 on…
- PDB
- 6BB4
- Type
- protein
- Length
- 1,302 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mouse monoclonal antibody C5.2 Fab light chain; Mouse monoclonal antibody C5.2 Fab heavy…
- UniProt
- P10636
- Ligands
- PO4
- Pockets
- 13 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L, M, N | Mouse monoclonal antibody C5.2 Fab light chain | protein | 211 | 6% helix, 52% strand | — |
| H, I, J | Mouse monoclonal antibody C5.2 Fab heavy chain | protein | 216 | 8% helix, 51% strand | — |
| P, Q, R | Microtubule-associated protein tau | protein | 7 | 0% helix, 14% strand | P10636 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 3 copies · chains H, I, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 740 | 0.66 | 0.74 | 96 | empty |
| 2 | 511 | 0.61 | 0.75 | 65 | empty |
| 3 | 419 | 0.58 | 0.75 | 54 | empty |
| 4 | 279 | 0.56 | 0.77 | 38 | empty |
| 5 | 234 | 0.51 | 0.76 | 33 | empty |
Interfaces
11 interfaces between chains.
- M–I · 1656 Ų buried · 12 hydrogen bonds · protein-protein
- L–H · 1635 Ų buried · 14 hydrogen bonds · protein-protein
- N–J · 1618 Ų buried · 13 hydrogen bonds · protein-protein
- L–N · 467 Ų buried · 4 hydrogen bonds · protein-protein
- I–J · 325 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide, 3 modified (disulfide, phosphorylation).
Compared structures
- 6BB4 · Fab/epitope complex of mouse monoclonal antibody C5.2 targeting a phospho-tau epitope. · 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 P10636
- Elsewhere: RCSB PDB 6BB4 · PDBe 6BB4 · UniProt P10636
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