MolNFT v1 · #136394 · protein
Rat CYPOR/D632A with 2'-AMP
5URI · NADPH--cytochrome P450 reductase: “Rat CYPOR/D632A with 2'-AMP”. X-ray diffraction, 4 ligands (FMN, FAD, 2AM), 12 pockets (best druggability 0.80). MolNFT v1 #136394 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5URI
- Type
- protein
- Length
- 1,212 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADPH--cytochrome P450 reductase
- EC
- 1.6.2.4
- UniProt
- P00388
- Ligands
- FMN, FAD, 2AM, PO4
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADPH--cytochrome P450 reductase (EC 1.6.2.4) | protein | 610 | 37% helix, 21% strand | P00388 |
| B | NADPH--cytochrome P450 reductase (EC 1.6.2.4) | protein | 602 | 34% helix, 21% strand | P00388 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- 2AM · Adenosine-2'-monophosphate · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 724 | 0.80 | 0.84 | 85 | empty |
| 2 | 458 | 0.79 | 0.87 | 68 | empty |
| 3 | 282 | 0.73 | 0.87 | 47 | FMN |
| 4 | 60 | 0.68 | 0.95 | 25 | empty |
| 5 | 281 | 0.65 | 0.82 | 26 | 2AM |
Interfaces
1 interface between chains.
- A–B · 731 Ų buried · 6 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 P00388
- Elsewhere: RCSB PDB 5URI · PDBe 5URI · UniProt P00388
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