Research workbench
Crystal structure of the aromatic sensor domain of mopr in complex with catachol
Analyse Crystal structure of the aromatic sensor domain of mopr in complex with catachol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5KBI
- Type
- protein
- Length
- 403 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mopr
- UniProt
- Q43965
- Ligands
- CAQ, ZN
- Pockets
- 7 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mopr | protein | 202 | 50% helix, 24% strand | Q43965 |
| B | Mopr | protein | 201 | 44% helix, 24% 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 | 50 | 0.39 | 0.81 | 19 | empty |
| 2 | 98 | 0.39 | 0.76 | 16 | empty |
| 3 | 79 | 0.38 | 0.78 | 18 | empty |
| 4 | 68 | 0.38 | 0.78 | 19 | empty |
| 5 | 74 | 0.36 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2437 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 5KBI · Crystal structure of the aromatic sensor domain of mopr in complex with catachol · 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 0.91
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 5KBI · PDBe 5KBI · UniProt Q43965
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