MolNFT v1 · #111847 · protein
Crystal structure of 2-hydroxybiphenyl 3-monooxygenase R242Q from pseudomonas azelaica
4Z2U · 2-hydroxybiphenyl-3-monooxygenase: “Crystal structure of 2-hydroxybiphenyl 3-monooxygenase R242Q from pseudomonas azelaica”. X-ray diffraction, 1 ligand (FAD), 12 pockets (best druggability 0.81). MolNFT v1 #111847 on GenesisL1: 3D…
- PDB
- 4Z2U
- Type
- protein
- Length
- 1,126 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-hydroxybiphenyl-3-monooxygenase
- EC
- 1.14.13.44
- UniProt
- O06647
- Ligands
- FAD
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 2-hydroxybiphenyl-3-monooxygenase (EC 1.14.13.44) | protein | 563 | 36% helix, 24% strand | O06647 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · 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 | 1002 | 0.81 | 0.82 | 91 | FAD |
| 2 | 1159 | 0.80 | 0.81 | 123 | empty |
| 3 | 1015 | 0.80 | 0.81 | 90 | FAD |
| 4 | 237 | 0.55 | 0.78 | 40 | empty |
| 5 | 50 | 0.45 | 0.85 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 519 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4Z2U · Crystal Structure of 2-hydroxybiphenyl 3-monooxygenase R242Q from Pseudomonas azelaica · 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 4Z2U · PDBe 4Z2U · UniProt O06647
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