MolNFT v1 · #22469 · protein
The structure of Fab with intermediate affinity for fluorescein.
1T66 · Immunoglobulin light chain: “The structure of Fab with intermediate affinity for fluorescein.”. X-ray diffraction, 1 ligand (FLU), 10 pockets (best druggability 0.63). MolNFT v1 #22469 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1T66
- Type
- protein
- Length
- 878 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Immunoglobulin light chain; Immunoglobulin heavy chain
- Ligands
- FLU
- Pockets
- 10 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L, C | Immunoglobulin light chain | protein | 219 | 6% helix, 52% strand | — |
| H, D | Immunoglobulin heavy chain | protein | 220 | 7% helix, 50% strand | — |
Ligands and binding sites
- FLU · 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid · ligand · 2 copies · chains L, H, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 647 | 0.63 | 0.74 | 78 | empty |
| 2 | 448 | 0.57 | 0.73 | 56 | empty |
| 3 | 139 | 0.53 | 0.81 | 25 | empty |
| 4 | 162 | 0.53 | 0.79 | 24 | empty |
| 5 | 130 | 0.50 | 0.79 | 22 | FLU |
Interfaces
2 interfaces between chains.
- L–H · 1969 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1958 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 1T66 · The structure of FAB with intermediate affinity for fluorescein. · 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 1T66 · PDBe 1T66
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