MolNFT v1 · #18399 · protein
Crystal structure of R. rubrum transhydrogenase domain III bound to NADPH
1PNQ · NAD(P) transhydrogenase subunit beta: “Crystal structure of R. rubrum transhydrogenase domain III bound to NADPH”. X-ray diffraction, 1 ligand (NDP), 2 pockets (best druggability 0.74). MolNFT v1 #18399 on GenesisL1: 3D structure…
- PDB
- 1PNQ
- Type
- protein
- Length
- 357 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD(P) transhydrogenase subunit beta
- EC
- 1.6.1.2
- UniProt
- Q59765
- Ligands
- NDP
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NAD(P) transhydrogenase subunit beta (EC 1.6.1.2) | protein | 180 | 36% helix, 21% strand | Q59765 |
| B | NAD(P) transhydrogenase subunit beta (EC 1.6.1.2) | protein | 177 | 38% helix, 20% strand | Q59765 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
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 | 453 | 0.74 | 0.83 | 56 | NDP |
| 2 | 194 | 0.57 | 0.80 | 29 | NDP |
Interfaces
1 interface between chains.
- A–B · 447 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1PNQ · Crystal structure of R. rubrum transhydrogenase domain III bound to NADPH · 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 Q59765
- Elsewhere: RCSB PDB 1PNQ · PDBe 1PNQ · UniProt Q59765
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