MolNFT v1 · #49853 · protein
Structure of morphinone reductase in complex with tetrahydronad
2R14: “Structure of morphinone reductase in complex with tetrahydronad”. X-ray diffraction, 2 ligands (FMN, TXD), 2 pockets (best druggability 0.66). MolNFT v1 #49853 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2R14
- Type
- protein
- Length
- 363 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Morphinone reductase
- UniProt
- Q51990
- Ligands
- FMN, TXD
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Morphinone reductase | protein | 363 | 35% helix, 17% strand | Q51990 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- TXD · 1,4,5,6-tetrahydronicotinamide adenine dinucleotide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.66 | 0.95 | 18 | empty |
| 2 | 436 | 0.66 | 0.78 | 51 | FMN, TXD |
Compared structures
- 2R14 · Structure of morphi reductase in complex with tetrahydroNAD · 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 Q51990
- Elsewhere: RCSB PDB 2R14 · PDBe 2R14 · UniProt Q51990
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