Research workbench
NMR structure of cl-babp complexed to chenodeoxycholic acid
Analyse NMR structure of cl-babp complexed to chenodeoxycholic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2JN3
- Type
- protein
- Length
- 125 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid-binding protein, liver
- UniProt
- P80226
- Ligands
- JN3
- Pockets
- 1 · best druggability 0.85
Structure
solution nmr · 1 distinct chain · 12% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid-binding protein, liver | protein | 125 | 12% helix, 50% strand | P80226 |
Ligands and binding sites
- JN3 · Chenodeoxycholic acid · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 617 | 0.85 | 0.90 | 51 | JN3 |
Compared structures
- 2JN3 · NMR structure of cl-BABP complexed to chenodeoxycholic acid · the same entry in another collection · chain A against A, TM-score 1.00
- P80226 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, liver (P80226) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P80226
- Elsewhere: RCSB PDB 2JN3 · PDBe 2JN3 · UniProt P80226
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