MolNFT v1 · #114514 · protein
Crystal structure of 2-hydroxybiphenyl 3-monooxygenase from pseudomonas azelaica with 2-hydroxybiphenyl in the active site
5BRT · 2-hydroxybiphenyl-3-monooxygenase: “Crystal structure of 2-hydroxybiphenyl 3-monooxygenase from pseudomonas azelaica with 2-hydroxybiphenyl in…”. X-ray diffraction, 2 ligands (FAD, CH9), 12 pockets (best druggability 0.80). MolNFT…
- PDB
- 5BRT
- Type
- protein
- Length
- 1,113 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-hydroxybiphenyl-3-monooxygenase
- UniProt
- O06647
- Ligands
- FAD, CH9
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-hydroxybiphenyl-3-monooxygenase | protein | 554 | 38% helix, 24% strand | O06647 |
| B | 2-hydroxybiphenyl-3-monooxygenase | protein | 559 | 37% helix, 24% strand | O06647 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- CH9 · 2-hydroxybiphenyl · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 672 | 0.80 | 0.85 | 97 | empty |
| 2 | 840 | 0.79 | 0.82 | 77 | FAD, CH9 |
| 3 | 878 | 0.79 | 0.82 | 83 | FAD, CH9 |
| 4 | 55 | 0.51 | 0.87 | 14 | empty |
| 5 | 58 | 0.50 | 0.86 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 507 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5BRT · Crystal Structure of 2-hydroxybiphenyl 3-monooxygenase from Pseudomonas azelaica with… · 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 O06647
- Elsewhere: RCSB PDB 5BRT · PDBe 5BRT · UniProt O06647
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.