MolNFT v1 · #6627 · protein
Routes to catalysis: structure of a catalytic antibody and comparison with its natural counterpart
1FIG · IGG1-kappa 1F7 Fab (light chain): “Routes to catalysis: structure of a catalytic antibody and comparison with its natural counterpart”. X-ray diffraction, 1 ligand (TSA), 6 pockets (best druggability 0.59). MolNFT v1 #6627 on…
- PDB
- 1FIG
- Type
- protein
- Length
- 431 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IGG1-kappa 1F7 Fab (light chain); IGG1-kappa 1F7 Fab (heavy chain)
- Ligands
- TSA
- Pockets
- 6 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | IGG1-kappa 1F7 Fab (light chain) | protein | 215 | 6% helix, 44% strand | — |
| H | IGG1-kappa 1F7 Fab (heavy chain) | protein | 216 | 1% helix, 42% strand | — |
Ligands and binding sites
- TSA · 8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid · ligand · chains L, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 69 | 0.59 | 0.90 | 24 | empty |
| 2 | 391 | 0.54 | 0.73 | 47 | empty |
| 3 | 202 | 0.52 | 0.77 | 38 | empty |
| 4 | 79 | 0.46 | 0.82 | 16 | TSA |
| 5 | 64 | 0.32 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- L–H · 1855 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1FIG · Routes to catalysis: structure of a catalytic antibody and comparison with its natural… · 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 1FIG · PDBe 1FIG
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