MolNFT v1 · #150118 · protein
Crystal structure of anti-tau antibody dmcbtau-27.1, double mutant (S31Y, T100I) of cbtau-27.1, in complex with tau peptide A8119B (residues 299-318)
6GK7 · Human Fab antibody fragment of cbtau-27.1(S31Y,T100I): “Crystal structure of anti-tau antibody dmcbtau-27.1, double mutant (S31Y, T100I) of cbtau-27.1, in complex…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability…
- PDB
- 6GK7
- Type
- protein
- Length
- 450 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Human Fab antibody fragment of cbtau-27.1(S31Y,T100I); Human tau peptide A8119 residues…
- Ligands
- CL
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Human Fab antibody fragment of cbtau-27.1(S31Y,T100I) | protein | 216 | 7% helix, 52% strand | — |
| H | Human Fab antibody fragment of cbtau-27.1(S31Y,T100I) | protein | 223 | 8% helix, 52% strand | — |
| A | Human tau peptide A8119 residues 299-318 | protein | 11 | 0% helix, 0% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains L, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 592 | 0.63 | 0.74 | 62 | CL |
| 2 | 113 | 0.41 | 0.76 | 22 | empty |
| 3 | 55 | 0.26 | 0.73 | 14 | empty |
Interfaces
3 interfaces between chains.
- L–H · 2158 Ų buried · 18 hydrogen bonds · protein-protein
- H–A · 447 Ų buried · 6 hydrogen bonds · protein-protein
- L–A · 334 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6GK7 · Crystal structure of anti-tau antibody dmCBTAU-27.1, double mutant (S31Y, T100I) of… · 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
- Elsewhere: RCSB PDB 6GK7 · PDBe 6GK7
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