MolNFT v1 · #5053 · protein
Adrenodoxin REDUCTASE/ADRENODOXIN complex of mitochondrial P450 systems
1E6E · NADPH\:ADRENODOXIN oxidoreductase: “Adrenodoxin REDUCTASE/ADRENODOXIN complex of mitochondrial P450 systems”. X-ray diffraction, 3 ligands (FAD, FES, SO4), 12 pockets (best druggability 0.89). MolNFT v1 #5053 on GenesisL1: 3D…
- PDB
- 1E6E
- Type
- protein
- Length
- 1,132 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADPH\:ADRENODOXIN oxidoreductase; Adrenodoxin
- EC
- 1.18.1.2, 1.18.1.6
- UniProt
- P08165, P00257
- Ligands
- FAD, FES, SO4
- Pockets
- 12 · best druggability 0.89
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADPH\:ADRENODOXIN oxidoreductase (EC 1.18.1.2, 1.18.1.6) | protein | 457 | 39% helix, 20% strand | P08165 |
| B | Adrenodoxin | protein | 113 | 24% helix, 21% strand | P00257 |
| C | NADPH\:ADRENODOXIN oxidoreductase (EC 1.18.1.2, 1.18.1.6) | protein | 456 | 38% helix, 20% strand | P08165 |
| D | Adrenodoxin | protein | 106 | 23% helix, 23% strand | P00257 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, C
- FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains B, D
- SO4 · Sulfate ion · ion · 5 copies · chains A, C
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 | 951 | 0.89 | 0.91 | 126 | FAD, SO4 |
| 2 | 1022 | 0.84 | 0.85 | 107 | FAD |
| 3 | 116 | 0.74 | 0.94 | 21 | empty |
| 4 | 53 | 0.64 | 0.94 | 19 | empty |
| 5 | 260 | 0.59 | 0.79 | 27 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1369 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1232 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1097 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 isopeptide (isopeptide).
Compared structures
- 1E6E · Adrenodoxin REDUCTASE/ADRENODOXIN complex of mitochondrial P450 systems · the same entry in another collection · chain D against D, TM-score 1.00
- P08165 · AlphaFold monomer V2.0 prediction for NADPH:ADRENODOXIN oxidoreductase, mitochondrial… · a predicted model of the same protein · chain A against A, TM-score 0.99
- P00257 · AlphaFold monomer V2.0 prediction for adrenodoxin, mitochondrial (P00257) · a predicted model of the same protein · chain D against A, TM-score 0.97
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 P08165
- Every structure of UniProt P00257
- Elsewhere: RCSB PDB 1E6E · PDBe 1E6E · UniProt P08165 · UniProt P00257
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