MolNFT v1 · #32411 · protein
Crystal structure of the yeast cpr triple mutant: D74G, Y75F, K78A.
2BPO · NADPH-cytochrom P450 reductase: “Crystal structure of the yeast cpr triple mutant: D74G, Y75F, K78A.”. X-ray diffraction, 4 ligands (FAD, FMN, NAP), 11 pockets (best druggability 0.84). MolNFT v1 #32411 on GenesisL1: 3D structure…
- PDB
- 2BPO
- Type
- protein
- Length
- 1,282 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADPH-cytochrom P450 reductase
- EC
- 1.6.2.4
- UniProt
- P16603
- Ligands
- FAD, FMN, NAP, SO4
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | NADPH-cytochrom P450 reductase (EC 1.6.2.4) | protein | 641 | 35% helix, 19% 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
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
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 | 962 | 0.84 | 0.86 | 121 | FAD, FMN |
| 2 | 742 | 0.84 | 0.87 | 83 | empty |
| 3 | 1058 | 0.81 | 0.82 | 64 | empty |
| 4 | 398 | 0.74 | 0.84 | 53 | FAD, FMN |
| 5 | 139 | 0.61 | 0.85 | 25 | NAP |
Interfaces
1 interface between chains.
- A–B · 609 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2BPO · Crystal structure of the yeast CPR triple mutant: D74G, Y75F, K78A. · 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 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 P16603
- Elsewhere: RCSB PDB 2BPO · PDBe 2BPO · UniProt P16603
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