MolNFT v1 · #54401 · protein
Crystal structure of an engineered FERREDOXIN(FLAVODOXIN) NADP(H) reductase (fpr) from escherichia COLI
2XNJ · Ferredoxin NADP-H reductase: “Crystal structure of an engineered FERREDOXIN(FLAVODOXIN) NADP(H) reductase (fpr) from escherichia COLI”. X-ray diffraction, 4 ligands (FAD, NAP, ZN), 4 pockets (best druggability 0.63). MolNFT v1…
- PDB
- 2XNJ
- Type
- protein
- Length
- 505 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferredoxin NADP-H reductase
- EC
- 1.18.1.2
- UniProt
- P28861
- Ligands
- FAD, NAP, ZN, NA
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferredoxin NADP-H reductase (EC 1.18.1.2) | protein | 255 | 24% helix, 37% strand | P28861 |
| B | Ferredoxin NADP-H reductase (EC 1.18.1.2) | protein | 250 | 26% helix, 38% strand | P28861 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 12 copies · chains A, B
- NA · Sodium ion · metal · chains B
- GOL · Glycerol · additive · 3 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 443 | 0.63 | 0.77 | 44 | FAD, NAP |
| 2 | 412 | 0.62 | 0.77 | 44 | FAD, NAP |
| 3 | 69 | 0.31 | 0.74 | 19 | empty |
| 4 | 50 | 0.25 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 235 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2XNJ · Crystal structure of an engineered Ferredoxin(flavodoxin) NADP(H) Reductase (FPR) from… · the same entry in another collection · chain A against A, TM-score 1.00
- P28861 · AlphaFold monomer V2.0 prediction for FLAVODOXIN/FERREDOXIN--NADP reductase (P28861) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P28861
- Elsewhere: RCSB PDB 2XNJ · PDBe 2XNJ · UniProt P28861
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