MolNFT v1 · #32331 · protein
A second FMN-binding site in yeast NADPH-cytochrome P450 reductase suggests a novel mechanism of electron transfer by diflavin reductase
2BN4 · NADPH cytochrome P450 reductase: “A second FMN-binding site in yeast NADPH-cytochrome P450 reductase suggests a novel mechanism of electron…”. X-ray diffraction, 3 ligands (FAD, FMN, NAP), 12 pockets (best druggability 0.84). MolNFT…
- PDB
- 2BN4
- Type
- protein
- Length
- 1,284 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADPH cytochrome P450 reductase
- EC
- 1.6.2.4
- UniProt
- P16603
- Ligands
- FAD, FMN, NAP
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADPH cytochrome P450 reductase (EC 1.6.2.4) | protein | 643 | 36% helix, 20% strand | P16603 |
| B | NADPH cytochrome P450 reductase (EC 1.6.2.4) | protein | 641 | 34% helix, 18% strand | P16603 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1036 | 0.84 | 0.85 | 138 | FAD, FMN |
| 2 | 644 | 0.82 | 0.86 | 90 | empty |
| 3 | 576 | 0.78 | 0.84 | 79 | FMN, NAP |
| 4 | 229 | 0.65 | 0.83 | 28 | NAP |
| 5 | 241 | 0.60 | 0.80 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 561 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2BN4 · A second FMN-binding site in yeast NADPH-cytochrome P450 reductase suggests a novel… · the same entry in another collection · chain A against A, TM-score 1.00
- P16603 · AlphaFold monomer V2.0 prediction for NADPH--cytochrome P450 reductase (P16603) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P16603
- Elsewhere: RCSB PDB 2BN4 · PDBe 2BN4 · UniProt P16603
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