MolNFT v1 · #57550 · protein
Crystal structure of ferredoxin NADP+ oxidoreductase
3AB1 · Ferredoxin--NADP reductase: “Crystal structure of ferredoxin NADP+ oxidoreductase”. X-ray diffraction, 1 ligand (FAD), 6 pockets (best druggability 0.75). MolNFT v1 #57550 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3AB1
- Type
- protein
- Length
- 654 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferredoxin--NADP reductase
- EC
- 1.18.1.2
- UniProt
- Q8KCB2
- Ligands
- FAD
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferredoxin--NADP reductase (EC 1.18.1.2) | protein | 318 | 25% helix, 30% strand | Q8KCB2 |
| B | Ferredoxin--NADP reductase (EC 1.18.1.2) | protein | 336 | 29% helix, 30% strand | Q8KCB2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 751 | 0.75 | 0.80 | 94 | FAD |
| 2 | 174 | 0.73 | 0.90 | 42 | FAD |
| 3 | 249 | 0.61 | 0.81 | 28 | empty |
| 4 | 112 | 0.58 | 0.84 | 20 | empty |
| 5 | 184 | 0.46 | 0.75 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1443 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
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 Q8KCB2
- Elsewhere: RCSB PDB 3AB1 · PDBe 3AB1 · UniProt Q8KCB2
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