MolNFT v1 · #11232 · protein
Crystal structure of immunoglobulin Fab fragment complexed with 17-beta-estradiol
1JGL · Ig kappa-chain: “Crystal structure of immunoglobulin Fab fragment complexed with 17-beta-estradiol”. X-ray diffraction, 1 ligand (EST), 4 pockets (best druggability 0.64). MolNFT v1 #11232 on GenesisL1: 3D structure, binding sites…
- PDB
- 1JGL
- Type
- protein
- Length
- 419 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ig kappa-chain; Ig gamma-1-chain
- UniProt
- Q920E6
- Ligands
- EST
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Ig kappa-chain | protein | 213 | 6% helix, 51% strand | Q920E6 |
| H | Ig gamma-1-chain | protein | 206 | 6% helix, 54% strand | — |
Ligands and binding sites
- EST · Estradiol · ligand · chains L, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.64 | 0.89 | 26 | empty |
| 2 | 511 | 0.60 | 0.74 | 52 | empty |
| 3 | 105 | 0.52 | 0.82 | 19 | EST |
| 4 | 114 | 0.37 | 0.74 | 24 | empty |
Interfaces
1 interface between chains.
- L–H · 1786 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1JGL · Crystal structure of immunoglobulin Fab fragment complexed with 17-beta-estradiol · 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
- Every structure of UniProt Q920E6
- Elsewhere: RCSB PDB 1JGL · PDBe 1JGL · UniProt Q920E6
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