Research workbench
Siderocalin Q83 reveals a dual ligand binding mode
Analyse Siderocalin Q83 reveals a dual ligand binding mode in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2LBV
- Type
- protein
- Length
- 157 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extracellular fatty acid-binding protein
- UniProt
- Q9I9P7
- Ligands
- EB4, ACD, GA
- Pockets
- 2 · best druggability 0.76
Structure
solution nmr · 1 distinct chain · 18% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Extracellular fatty acid-binding protein | protein | 157 | 18% helix, 40% strand | Q9I9P7 |
Ligands and binding sites
- EB4 · N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) · ligand · chains A
- ACD · Arachidonic acid · ligand · chains A
- GA · Gallium (III) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 597 | 0.76 | 0.82 | 60 | EB4, GA, ACD |
| 2 | 73 | 0.33 | 0.75 | 22 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2LBV · Siderocalin Q83 reveals a dual ligand binding mode · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I9P7 · AlphaFold monomer V2.0 prediction for extracellular fatty acid- binding protein (Q9I9P7) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 Q9I9P7
- Elsewhere: RCSB PDB 2LBV · PDBe 2LBV · UniProt Q9I9P7
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