MolNFT v1 · #42031 · protein
NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based GD(III)- chelate
2K62 · Liver fatty acid-binding protein: “NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a…”. Solution nmr, 2 ligands (ITL, YB), 1 pocket (best druggability 0.83). MolNFT v1…
- PDB
- 2K62
- Type
- protein
- Length
- 125 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Liver fatty acid-binding protein
- UniProt
- P80226
- Ligands
- ITL, YB
- Pockets
- 1 · best druggability 0.83
Structure
solution nmr · 1 distinct chain · 8% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Liver fatty acid-binding protein | protein | 125 | 8% helix, 52% strand | P80226 |
Ligands and binding sites
- ITL · (3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid · ligand · chains A
- YB · Ytterbium (III) ion · metal
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 | 895 | 0.83 | 0.85 | 53 | ITL |
Compared structures
- 2K62 · NMR solution structure of the supramolecular adduct between a liver cytosolic bile 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 0.88
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 2K62 · PDBe 2K62 · UniProt P80226
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