Research workbench
Crystal structure of human FABP6 apo-protein
Analyse Crystal structure of human FABP6 apo-protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5L8I
- Type
- protein
- Length
- 376 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gastrotropin
- UniProt
- P51161
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Gastrotropin | protein | 125 | 13% helix, 58% strand | P51161 |
| B | Gastrotropin | protein | 126 | 11% helix, 61% strand | P51161 |
Ligands and binding sites
- PGE · Triethylene glycol · additive · chains A
- P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · additive · chains B
- PEG · Di(hydroxyethyl)ether · additive · chains B
- PG4 · Tetraethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 489 | 0.80 | 0.87 | 46 | P33, PEG |
| 2 | 409 | 0.75 | 0.85 | 45 | empty |
| 3 | 362 | 0.75 | 0.85 | 41 | PGE |
| 4 | 295 | 0.53 | 0.75 | 34 | empty |
| 5 | 60 | 0.43 | 0.83 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–B · 672 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 159 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 84 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
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 P51161
- Elsewhere: RCSB PDB 5L8I · PDBe 5L8I · UniProt P51161
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