Research workbench
Crystal structure of human epidermal fatty acid binding protein (FABP5) in complex with linoleic acid
Analyse Crystal structure of human epidermal fatty acid binding protein (FABP5) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LKT
- Type
- protein
- Length
- 545 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid-binding protein, epidermal
- UniProt
- Q01469
- Ligands
- EIC, SO4, NH4, CL
- Pockets
- 5 · best druggability 0.88
Structure
x-ray diffraction · 3 distinct chains · 15% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Fatty acid-binding protein, epidermal | protein | 137 | 15% helix, 57% strand | Q01469 |
| B | Fatty acid-binding protein, epidermal | protein | 135 | 15% helix, 58% strand | Q01469 |
| C | Fatty acid-binding protein, epidermal | protein | 136 | 15% helix, 56% strand | Q01469 |
Ligands and binding sites
- EIC · Linoleic acid · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 3 copies · chains A, C, D
- NH4 · Ammonium ion · ion · 3 copies · chains C, D
- CL · Chloride ion · ion · chains B
- GOL · Glycerol · additive · 9 copies · chains A, C, D, B
- TAR · D(-)-tartaric acid · additive · 3 copies · chains B, C, A, D
- CIT · Citric acid · additive · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1011 | 0.88 | 0.89 | 97 | EIC, GOL, CL |
| 2 | 302 | 0.85 | 0.95 | 33 | EIC |
| 3 | 308 | 0.85 | 0.95 | 38 | EIC |
| 4 | 99 | 0.36 | 0.74 | 23 | empty |
| 5 | 62 | 0.29 | 0.74 | 17 | GOL |
Interfaces
6 interfaces between chains.
- A–D · 715 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 691 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 379 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 301 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 72 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4LKT · Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with… · the same entry in another collection · chain D against D, TM-score 1.00
- Q01469 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein 5 (Q01469) · a predicted model of the same protein · chain C against A, TM-score 0.97
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 Q01469
- Elsewhere: RCSB PDB 4LKT · PDBe 4LKT · UniProt Q01469
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