MolNFT v1 · #21078 · protein
Flavin reductase PHEA2 in native state
1RZ0 · Phenol 2-hydroxylase component B: “Flavin reductase PHEA2 in native state”. X-ray diffraction, 1 ligand (FAD), 11 pockets (best druggability 0.72). MolNFT v1 #21078 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1RZ0
- Type
- protein
- Length
- 1,224 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenol 2-hydroxylase component B
- UniProt
- Q9LAG2
- Ligands
- FAD
- Pockets
- 11 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Phenol 2-hydroxylase component B | protein | 153 | 16% helix, 50% strand | Q9LAG2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 965 | 0.72 | 0.76 | 90 | FAD |
| 2 | 581 | 0.71 | 0.79 | 64 | empty |
| 3 | 356 | 0.64 | 0.79 | 44 | empty |
| 4 | 393 | 0.63 | 0.78 | 38 | empty |
| 5 | 407 | 0.61 | 0.76 | 38 | empty |
Interfaces
7 interfaces between chains.
- G–H · 2435 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 2419 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 2414 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 2412 Ų buried · 20 hydrogen bonds · protein-protein
- D–H · 439 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 48 modified (engineered).
Compared structures
- 1RZ0 · Flavin reductase PheA2 in native state · the same entry in another collection · chain B against B, 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 Q9LAG2
- Elsewhere: RCSB PDB 1RZ0 · PDBe 1RZ0 · UniProt Q9LAG2
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