Research workbench
X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% dmso solution containing flurbiprofen
Analyse X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50%… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7EUV
- Type
- protein
- Length
- 133 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid-binding protein, heart
- UniProt
- P05413
- Ligands
- FLR
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid-binding protein, heart | protein | 133 | 14% helix, 59% strand | P05413 |
Ligands and binding sites
- FLR · (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic 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 | 417 | 0.80 | 0.89 | 33 | FLR |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7EUV · X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMSO solution… · the same entry in another collection · chain A against A, TM-score 1.00
- P05413 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, heart (P05413) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P05413
- Elsewhere: RCSB PDB 7EUV · PDBe 7EUV · UniProt P05413
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