MolNFT v1 · #81731 · protein
Fab WN1 222-5 unliganded
3V0V · WN1 222-5 Fab (IGG2A) light chain: “Fab WN1 222-5 unliganded”. X-ray diffraction, 8 pockets (best druggability 0.77). MolNFT v1 #81731 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3V0V
- Type
- protein
- Length
- 855 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- WN1 222-5 Fab (IGG2A) light chain; WN1 222-5 Fab (IGG2A) heavy chain
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L, B | WN1 222-5 Fab (IGG2A) light chain | protein | 212 | 5% helix, 51% strand | — |
| H | WN1 222-5 Fab (IGG2A) heavy chain | protein | 214 | 7% helix, 51% strand | — |
| A | WN1 222-5 Fab (IGG2A) heavy chain | protein | 217 | 8% helix, 51% strand | — |
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 612 | 0.77 | 0.84 | 67 | empty |
| 2 | 199 | 0.61 | 0.82 | 34 | empty |
| 3 | 70 | 0.46 | 0.83 | 16 | empty |
| 4 | 106 | 0.39 | 0.75 | 20 | empty |
| 5 | 109 | 0.37 | 0.74 | 22 | empty |
Interfaces
5 interfaces between chains.
- B–A · 1864 Ų buried · 12 hydrogen bonds · protein-protein
- L–H · 1861 Ų buried · 12 hydrogen bonds · protein-protein
- L–B · 271 Ų buried · 2 hydrogen bonds · protein-protein
- L–A · 247 Ų buried · 4 hydrogen bonds · protein-protein
- H–B · 121 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3V0V · Fab WN1 222-5 unliganded · 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 3V0V · PDBe 3V0V
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