MolNFT v1 · #99487 · protein
Structure and dimerization properties of the aryl hydrocarbon receptor (ahr) pas-a domain
4M4X: “Structure and dimerization properties of the aryl hydrocarbon receptor (ahr) pas-a domain”. X-ray diffraction, 2 pockets (best druggability 0.77). MolNFT v1 #99487 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4M4X
- Type
- protein
- Length
- 237 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aryl hydrocarbon receptor
- UniProt
- P30561
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aryl hydrocarbon receptor | protein | 126 | 24% helix, 36% strand | P30561 |
| B | Aryl hydrocarbon receptor | protein | 111 | 26% helix, 39% strand | P30561 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 187 | 0.77 | 0.92 | 25 | empty |
| 2 | 60 | 0.28 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 972 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4M4X · Structure and Dimerization Properties of the Aryl Hydrocarbon Receptor (AHR) PAS-A Domain · the same entry in another collection · chain A against A, TM-score 1.00
- P30561 · AlphaFold monomer V2.0 prediction for aryl hydrocarbon receptor (P30561) · a predicted model of the same protein · chain B against A, TM-score 0.92
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 P30561
- Elsewhere: RCSB PDB 4M4X · PDBe 4M4X · UniProt P30561
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