MolNFT v1 · #124308 · protein
Crystal structure of the aromatic sensor domain of mopr in complex with phenol
5KBE: “Crystal structure of the aromatic sensor domain of mopr in complex with phenol”. X-ray diffraction, 2 ligands (IPH, ZN), 7 pockets (best druggability 0.42). MolNFT v1 #124308 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5KBE
- Type
- protein
- Length
- 405 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mopr
- UniProt
- Q43965
- Ligands
- IPH, ZN
- Pockets
- 7 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mopr | protein | 199 | 50% helix, 24% strand | Q43965 |
| B | Mopr | protein | 206 | 50% helix, 23% strand | Q43965 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 70 | 0.42 | 0.81 | 15 | empty |
| 2 | 90 | 0.40 | 0.77 | 16 | empty |
| 3 | 86 | 0.39 | 0.77 | 18 | empty |
| 4 | 65 | 0.34 | 0.76 | 18 | empty |
| 5 | 60 | 0.31 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 2410 Ų buried · 37 hydrogen bonds · protein-protein
Compared structures
- 5KBE · Crystal structure of the aromatic sensor domain of mopr in complex with phenol · the same entry in another collection · chain A against A, TM-score 1.00
- Q43965 · AlphaFold monomer V2.0 prediction for phenol regulator mopr (Q43965) · a predicted model of the same protein · chain A 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 Q43965
- Elsewhere: RCSB PDB 5KBE · PDBe 5KBE · UniProt Q43965
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.