MolNFT v1 · #135789 · protein
Crystal structure of the fkbp domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) complexed with geranyl geranyl pyrophoshate
5U9J: “Crystal structure of the fkbp domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1)…”. X-ray diffraction, 2 ligands (GER, NA), 5 pockets (best druggability 0.75). MolNFT v1 #135789 on GenesisL1: 3D structure…
- PDB
- 5U9J
- Type
- protein
- Length
- 304 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1)
- UniProt
- Q9NZN9
- Ligands
- GER, NA
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) | protein | 152 | 32% helix, 27% strand | Q9NZN9 |
Ligands and binding sites
- GER · Geran-8-yl geran · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · chains A, B
- IPA · Isopropyl alcohol · additive · chains A, 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 238 | 0.75 | 0.89 | 42 | IPA |
| 2 | 210 | 0.67 | 0.84 | 26 | GER |
| 3 | 253 | 0.67 | 0.83 | 37 | GER |
| 4 | 91 | 0.37 | 0.76 | 16 | empty |
| 5 | 53 | 0.28 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 609 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5U9J · Crystal structure of the FKBP domain of human aryl hydrocarbon receptor-interacting… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NZN9 · AlphaFold monomer V2.0 prediction for aryl-hydrocarbon-interacting protein-like 1 (Q9NZN9) · a predicted model of the same protein · chain A against A, TM-score 0.89
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 Q9NZN9
- Elsewhere: RCSB PDB 5U9J · PDBe 5U9J · UniProt Q9NZN9
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