Research workbench
Crystal structure of adipocyte fatty acid binding protein covalently modified with 4-hydroxy-2-nonenal
Analyse Crystal structure of adipocyte fatty acid binding protein covalently modified… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3JS1
- Type
- protein
- Length
- 262 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adipocyte fatty acid-binding protein
- UniProt
- P04117
- Ligands
- PO4
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Adipocyte fatty acid-binding protein | protein | 131 | 13% helix, 59% strand | P04117 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.81 | 0.97 | 28 | empty |
| 2 | 162 | 0.81 | 0.96 | 30 | empty |
| 3 | 223 | 0.64 | 0.83 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 769 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 3JS1 · Crystal structure of adipocyte fatty acid binding protein covalently modified with… · the same entry in another collection · chain A against A, TM-score 1.00
- P04117 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, adipocyte (P04117) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P04117
- Elsewhere: RCSB PDB 3JS1 · PDBe 3JS1 · UniProt P04117
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