MolNFT v1 · #77300 · protein
Crystal structure of the luciferase-like monooxygenase from bacillus cereus atcc 10987.
3RAO · Putative luciferase-like monooxygenase: “Crystal structure of the luciferase-like monooxygenase from bacillus cereus atcc 10987.”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.78). MolNFT v1 #77300 on GenesisL1…
- PDB
- 3RAO
- Type
- protein
- Length
- 690 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative luciferase-like monooxygenase
- UniProt
- Q73CJ8
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative luciferase-like monooxygenase | protein | 341 | 45% helix, 16% strand | Q73CJ8 |
| B | Putative luciferase-like monooxygenase | protein | 349 | 44% helix, 15% strand | Q73CJ8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 940 | 0.78 | 0.81 | 85 | empty |
| 2 | 407 | 0.68 | 0.80 | 37 | SO4 |
| 3 | 395 | 0.67 | 0.80 | 41 | SO4 |
| 4 | 215 | 0.56 | 0.79 | 28 | empty |
| 5 | 58 | 0.39 | 0.80 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1003 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 3RAO · Crystal Structure of the Luciferase-like Monooxygenase from Bacillus cereus ATCC 10987. · the same entry in another collection · chain A against A, TM-score 1.00
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 Q73CJ8
- Elsewhere: RCSB PDB 3RAO · PDBe 3RAO · UniProt Q73CJ8
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