MolNFT v1 · #50231 · protein
Refined structure of fnr from leptospira interrogans bound to NADP+
2RC6 · Ferredoxin-NADP reductase: “Refined structure of fnr from leptospira interrogans bound to NADP+”. X-ray diffraction, 4 ligands (FAD, NAP, ZN), 8 pockets (best druggability 0.71). MolNFT v1 #50231 on GenesisL1: 3D structure, binding…
- PDB
- 2RC6
- Type
- protein
- Length
- 1,224 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferredoxin-NADP reductase
- EC
- 1.18.1.2
- UniProt
- Q8EY89
- Ligands
- FAD, NAP, ZN, SO4
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Ferredoxin-NADP reductase (EC 1.18.1.2) | protein | 306 | 28% helix, 26% strand | Q8EY89 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.71 | 0.75 | 107 | FAD, NAP |
| 2 | 1127 | 0.70 | 0.75 | 107 | FAD, NAP |
| 3 | 593 | 0.68 | 0.78 | 83 | FAD, NAP |
| 4 | 438 | 0.63 | 0.77 | 49 | FAD, NAP |
| 5 | 676 | 0.62 | 0.73 | 59 | empty |
Interfaces
4 interfaces between chains.
- C–D · 263 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 242 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 66 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 40 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2RC6 · Refined structure of FNR from Leptospira interrogans bound to NADP+ · the same entry in another collection · 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 Q8EY89
- Elsewhere: RCSB PDB 2RC6 · PDBe 2RC6 · UniProt Q8EY89
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