Research workbench
26-10 FAB:DIGOXIN complex-affinity and specificity due to surface complementarity
Analyse 26-10 FAB:DIGOXIN complex-affinity and specificity due to surface… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1IGJ
- Type
- protein
- Length
- 866 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IGG2A-kappa 26-10 Fab (light chain); IGG2A-kappa 26-10 Fab (heavy chain)
- Ligands
- DGX
- Pockets
- 9 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | IGG2A-kappa 26-10 Fab (light chain) | protein | 216 | 6% helix, 51% strand | — |
| B, D | IGG2A-kappa 26-10 Fab (heavy chain) | protein | 217 | 6% helix, 48% strand | — |
Ligands and binding sites
- DGX · Digoxin · ligand · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.53 | 0.79 | 22 | DGX |
| 2 | 159 | 0.52 | 0.79 | 28 | DGX |
| 3 | 289 | 0.49 | 0.73 | 44 | empty |
| 4 | 58 | 0.46 | 0.84 | 17 | empty |
| 5 | 178 | 0.44 | 0.74 | 23 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1929 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1864 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1IGJ · 26-10 FAB:DIGOXIN complex-affinity and specificity due to surface complementarity · 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 1IGJ · PDBe 1IGJ
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.