MolNFT v1 · #50230 · protein
Refined structure of fnr from leptospira interrogans
2RC5 · Ferredoxin-NADP reductase: “Refined structure of fnr from leptospira interrogans”. X-ray diffraction, 3 ligands (FAD, ZN, SO4), 12 pockets (best druggability 0.71). MolNFT v1 #50230 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2RC5
- Type
- protein
- Length
- 1,217 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, ZN, SO4
- Pockets
- 12 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 27% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferredoxin-NADP reductase (EC 1.18.1.2) | protein | 306 | 28% helix, 27% strand | Q8EY89 |
| B | Ferredoxin-NADP reductase (EC 1.18.1.2) | protein | 301 | 27% helix, 27% strand | Q8EY89 |
| C | Ferredoxin-NADP reductase (EC 1.18.1.2) | protein | 304 | 28% helix, 27% strand | Q8EY89 |
| D | Ferredoxin-NADP reductase (EC 1.18.1.2) | protein | 306 | 27% helix, 28% strand | Q8EY89 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- ZN · Zinc ion · metal · chains A, B
- SO4 · Sulfate ion · ion · 7 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1149 | 0.71 | 0.75 | 113 | FAD |
| 2 | 727 | 0.70 | 0.77 | 92 | FAD |
| 3 | 907 | 0.68 | 0.74 | 64 | empty |
| 4 | 408 | 0.62 | 0.77 | 51 | FAD |
| 5 | 373 | 0.61 | 0.77 | 47 | FAD |
Interfaces
4 interfaces between chains.
- C–D · 385 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 336 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 116 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 47 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2RC5 · Refined structure of FNR from Leptospira interrogans · 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 2RC5 · PDBe 2RC5 · UniProt Q8EY89
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