MolNFT v1 · #11454 · protein
Crystal structure of Fab-estradiol complexes
1JN6 · Monoclonal anti-estradiol 10G6D6 Fab light chain: “Crystal structure of Fab-estradiol complexes”. X-ray diffraction, 4 pockets (best druggability 0.49). MolNFT v1 #11454 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1JN6
- Type
- protein
- Length
- 420 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Monoclonal anti-estradiol 10G6D6 Fab light chain; Monoclonal anti-estradiol 10G6D6 Fab…
- Pockets
- 4 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Monoclonal anti-estradiol 10G6D6 Fab light chain | protein | 206 | 8% helix, 53% strand | — |
| B | Monoclonal anti-estradiol 10G6D6 Fab heavy chain | protein | 214 | 7% helix, 55% strand | — |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.49 | 0.77 | 26 | empty |
| 2 | 242 | 0.44 | 0.72 | 37 | empty |
| 3 | 84 | 0.43 | 0.79 | 13 | empty |
| 4 | 85 | 0.34 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1836 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1JN6 · Crystal Structure of Fab-Estradiol Complexes · 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 1JN6 · PDBe 1JN6
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