Research workbench
Reduced flavin reductase PHEA2 in complex with NAD
Analyse Reduced flavin reductase PHEA2 in complex with NAD in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1RZ1
- 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, NAD
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 17% 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 | 17% helix, 50% strand | Q9LAG2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 8 copies · chains A, B, C, D, E, F, G, H
- NAD · Nicotinamide-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
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 876 | 0.75 | 0.79 | 84 | NAD |
| 2 | 920 | 0.73 | 0.77 | 71 | FAD, NAD |
| 3 | 561 | 0.68 | 0.77 | 49 | NAD |
| 4 | 446 | 0.65 | 0.78 | 40 | NAD |
| 5 | 385 | 0.65 | 0.79 | 35 | FAD, NAD |
Interfaces
7 interfaces between chains.
- C–D · 2457 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 2456 Ų buried · 20 hydrogen bonds · protein-protein
- G–H · 2444 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 2438 Ų buried · 18 hydrogen bonds · protein-protein
- D–H · 411 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 48 modified (engineered).
Compared structures
- 1RZ1 · Reduced flavin reductase PheA2 in complex with NAD · the same entry in another collection · chain G against G, 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 1RZ1 · PDBe 1RZ1 · UniProt Q9LAG2
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