MolNFT v1 · #47041 · protein
Putative antibiotic biosynthesis monooxygenase from nitrosomonas europaea
2OMO · DUF176: “Putative antibiotic biosynthesis monooxygenase from nitrosomonas europaea”. X-ray diffraction, 16 pockets (best druggability 0.75). MolNFT v1 #47041 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2OMO
- Type
- protein
- Length
- 807 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DUF176
- UniProt
- Q82WP3
- Pockets
- 16 · best druggability 0.75
Structure
x-ray diffraction · 6 distinct chains · 37% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DUF176 | protein | 105 | 36% helix, 34% strand | Q82WP3 |
| C | DUF176 | protein | 104 | 34% helix, 35% strand | Q82WP3 |
| D | DUF176 | protein | 104 | 37% helix, 35% strand | Q82WP3 |
| E | DUF176 | protein | 95 | 40% helix, 36% strand | Q82WP3 |
| F | DUF176 | protein | 96 | 40% helix, 40% strand | Q82WP3 |
| G, H | DUF176 | protein | 99 | 35% helix, 36% strand | Q82WP3 |
Pockets
16 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 871 | 0.75 | 0.79 | 79 | empty |
| 2 | 187 | 0.53 | 0.78 | 28 | empty |
| 3 | 278 | 0.50 | 0.74 | 36 | empty |
| 4 | 167 | 0.49 | 0.77 | 23 | empty |
| 5 | 107 | 0.48 | 0.80 | 27 | empty |
Interfaces
12 interfaces between chains.
- B–C · 1750 Ų buried · 31 hydrogen bonds · protein-protein
- A–H · 1493 Ų buried · 23 hydrogen bonds · protein-protein
- D–G · 1482 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 1054 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 404 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
Compared structures
- 2OMO · Putative antibiotic biosynthesis monooxygenase from Nitrosomonas europaea · 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 Q82WP3
- Elsewhere: RCSB PDB 2OMO · PDBe 2OMO · UniProt Q82WP3
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