MolNFT v1 · #124312 · protein
Crystal structure of the aromatic sensor domain of mopr in complex with catachol
5KBI: “Crystal structure of the aromatic sensor domain of mopr in complex with catachol”. X-ray diffraction, 2 ligands (CAQ, ZN), 7 pockets (best druggability 0.39). MolNFT v1 #124312 on GenesisL1: 3D structure, binding sites and pockets…
- 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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