MolNFT v1 · #83443 · protein
Crystal structure of the third fibronectin domain (FN3) of human ROBO1 in complex with the Fab fragment of murine monoclonal antibody B2212A.
3WIH · Roundabout homolog 1: “Crystal structure of the third fibronectin domain (FN3) of human ROBO1 in complex with the Fab fragment of…”. X-ray diffraction, 16 pockets (best druggability 0.68). MolNFT v1 #83443 on GenesisL1: 3D…
- PDB
- 3WIH
- Type
- protein
- Length
- 1,040 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Roundabout homolog 1; Anti-human ROBO1 antibody B2212A Fab light chain; Anti-human ROBO1…
- UniProt
- Q9Y6N7
- Pockets
- 16 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Roundabout homolog 1 | protein | 88 | 3% helix, 45% strand | Q9Y6N7 |
| L, M | Anti-human ROBO1 antibody B2212A Fab light chain | protein | 213 | 5% helix, 50% strand | — |
| H, I | Anti-human ROBO1 antibody B2212A Fab heavy chain | protein | 219 | 8% helix, 52% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains H, M, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 400 | 0.68 | 0.81 | 48 | empty |
| 2 | 260 | 0.51 | 0.75 | 39 | empty |
| 3 | 228 | 0.50 | 0.75 | 37 | empty |
| 4 | 244 | 0.49 | 0.74 | 38 | GOL |
| 5 | 213 | 0.47 | 0.74 | 37 | empty |
Interfaces
9 interfaces between chains.
- L–H · 1945 Ų buried · 17 hydrogen bonds · protein-protein
- M–I · 1927 Ų buried · 18 hydrogen bonds · protein-protein
- A–H · 544 Ų buried · 9 hydrogen bonds · protein-protein
- B–I · 543 Ų buried · 9 hydrogen bonds · protein-protein
- B–M · 414 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3WIH · Crystal structure of the third fibronectin domain (Fn3) of human ROBO1 in complex with… · the same entry in another collection · chain H against H, TM-score 1.00
- Q9Y6N7 · AlphaFold monomer V2.0 prediction for roundabout homolog 1 (Q9Y6N7) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q9Y6N7
- Elsewhere: RCSB PDB 3WIH · PDBe 3WIH · UniProt Q9Y6N7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.