MolNFT v1 · #143796 · protein
Potent and selective antitumor activity of a T-cell engaging bispecific antibody targeting a membrane-proximal epitope of ROR1
6BA5 · Variable domain of light chain, antibody R11: “Potent and selective antitumor activity of a T-cell engaging bispecific antibody targeting a…”. X-ray diffraction, 14 pockets (best druggability 0.62). MolNFT v1 #143796 on GenesisL1…
- PDB
- 6BA5
- Type
- protein
- Length
- 1,216 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Variable domain of light chain, antibody R11; Variable domain heavy chain, antibody R11…
- UniProt
- Q01973
- Pockets
- 14 · best druggability 0.62
Structure
x-ray diffraction · 5 distinct chains · 4% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Variable domain of light chain, antibody R11 | protein | 110 | 3% helix, 54% strand | — |
| B, D, F, H | Variable domain heavy chain, antibody R11 | protein | 113 | 3% helix, 42% strand | — |
| E, G | Variable domain of light chain, antibody R11 | protein | 111 | 3% helix, 53% strand | — |
| M, N | Inactive tyrosine-protein kinase transmembrane receptor ROR1 | protein | 81 | 7% helix, 19% strand | Q01973 |
| O, P | Inactive tyrosine-protein kinase transmembrane receptor ROR1 | protein | 80 | 8% helix, 19% strand | Q01973 |
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.62 | 0.84 | 30 | empty |
| 2 | 187 | 0.59 | 0.82 | 29 | empty |
| 3 | 355 | 0.56 | 0.75 | 54 | empty |
| 4 | 150 | 0.55 | 0.82 | 26 | empty |
| 5 | 86 | 0.53 | 0.85 | 23 | empty |
Interfaces
21 interfaces between chains.
- D–F · 1326 Ų buried · 30 hydrogen bonds · protein-protein
- E–F · 1016 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1012 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1011 Ų buried · 14 hydrogen bonds · protein-protein
- G–H · 1008 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 6BA5 · Potent and Selective Antitumor Activity of a T-Cell Engaging Bispecific Antibody… · the same entry in another collection · chain P against P, 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 Q01973
- Elsewhere: RCSB PDB 6BA5 · PDBe 6BA5 · UniProt Q01973
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