Research workbench
X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMSO solution containing 4-[2-[1-(4-bromophenyl)-5-phenyl-1H-pyrazol-3-yl]phenoxy] (HA174)
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
- 7EUW
- Type
- protein
- Length
- 132 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.55
- Source
- Homo sapiens
- Molecule
- Fatty acid-binding protein, heart
- UniProt
- P05413
- Ligands
- JEC, SO3
- Pockets
- 1 · best druggability 0.82
Structure
x-ray diffraction · resolution 1.55 · 1 distinct chain · 13% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid-binding protein, heart | protein | 132 | 13% helix, 59% strand | P05413 |
Ligands and binding sites
- JEC · 4-[2-[1-(4-bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid · ligand · chains A
- SO3 · Sulfite ion · ion · 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 | 336 | 0.82 | 0.91 | 36 | JEC |
Compared structures
- 7EUW · 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 0.99
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 P05413
- Elsewhere: RCSB PDB 7EUW · PDBe 7EUW · UniProt P05413
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