Research workbench
Crystal structure of R. rubrum transhydrogenase domain III bound to NADP
Analyse Crystal structure of R. rubrum transhydrogenase domain III bound to NADP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1PNO
- 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
- NAP
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NAD(P) transhydrogenase subunit beta (EC 1.6.1.2) | protein | 180 | 41% helix, 21% strand | Q59765 |
| B | NAD(P) transhydrogenase subunit beta (EC 1.6.1.2) | protein | 177 | 42% helix, 20% strand | Q59765 |
Ligands and binding sites
- NAP · Nadp 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 | 426 | 0.74 | 0.84 | 54 | NAP |
| 2 | 201 | 0.58 | 0.80 | 29 | NAP |
Interfaces
1 interface between chains.
- A–B · 444 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1PNO · Crystal structure of R. rubrum transhydrogenase domain III bound to NADP · 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 1PNO · PDBe 1PNO · UniProt Q59765
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