MolNFT v1 · #23533 · protein
Recombinant human heart transhydrogenase diii bound with NADPH
1U31 · NAD(P) transhydrogenase, mitochondrial: “Recombinant human heart transhydrogenase diii bound with NADPH”. X-ray diffraction, 2 ligands (NDP, SO4), 3 pockets (best druggability 0.59). MolNFT v1 #23533 on GenesisL1: 3D structure…
- PDB
- 1U31
- Type
- protein
- Length
- 364 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD(P) transhydrogenase, mitochondrial
- EC
- 1.6.1.2
- UniProt
- Q13423
- Ligands
- NDP, SO4
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | NAD(P) transhydrogenase, mitochondrial (EC 1.6.1.2) | protein | 182 | 42% helix, 18% strand | Q13423 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.59 | 0.79 | 35 | NDP, GOL |
| 2 | 215 | 0.57 | 0.79 | 34 | NDP, GOL |
| 3 | 228 | 0.47 | 0.74 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 46 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1U31 · recombinant human heart transhydrogenase dIII bound with NADPH · the same entry in another collection · chain A against A, TM-score 1.00
- Q13423 · AlphaFold monomer V2.0 prediction for NAD(P) transhydrogenase, mitochondrial (Q13423) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q13423
- Elsewhere: RCSB PDB 1U31 · PDBe 1U31 · UniProt Q13423
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