Research workbench
Crystal structure of therapeutic mab AR20.5 in complex with MUC1 peptide
Analyse Crystal structure of therapeutic mab AR20.5 in complex with MUC1 peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5T6P
- Type
- protein
- Length
- 856 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab fragment AR20.5 - light chain; Fab fragment - heavy chain; MUC1 peptide fragment
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Fab fragment AR20.5 - light chain | protein | 216 | 6% helix, 52% strand | — |
| B, D | Fab fragment - heavy chain | protein | 206 | 4% helix, 52% strand | — |
| E, F | MUC1 peptide fragment | protein | 6 | 0% helix, 0% strand | — |
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 907 | 0.73 | 0.77 | 91 | empty |
| 2 | 702 | 0.66 | 0.75 | 56 | empty |
| 3 | 59 | 0.47 | 0.85 | 21 | empty |
| 4 | 127 | 0.45 | 0.77 | 26 | empty |
| 5 | 126 | 0.42 | 0.76 | 24 | empty |
Interfaces
10 interfaces between chains.
- C–D · 1697 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1677 Ų buried · 12 hydrogen bonds · protein-protein
- C–E · 375 Ų buried · 6 hydrogen bonds · protein-protein
- A–F · 374 Ų buried · 3 hydrogen bonds · protein-protein
- B–F · 335 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 5T6P · Crystal structure of therapeutic mAB AR20.5 in complex with MUC1 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 5T6P · PDBe 5T6P
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.