MolNFT v1 · #47088 · protein
Structure of transhydrogenase (DI.H2NADH)2(DIII.NADP+)1 asymmetric complex
2OO5 · NAD(P) transhydrogenase subunit alpha part 1: “Structure of transhydrogenase (DI.H2NADH)2(DIII.NADP+)1 asymmetric complex”. X-ray diffraction, 3 ligands (TXD, NAP, SO4), 7 pockets (best druggability 0.86). MolNFT v1 #47088 on…
- PDB
- 2OO5
- Type
- protein
- Length
- 934 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD(P) transhydrogenase subunit alpha part 1; NAD(P) transhydrogenase subunit beta
- EC
- 1.6.1.2
- UniProt
- P0C186, P0C188
- Ligands
- TXD, NAP, SO4
- Pockets
- 7 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | NAD(P) transhydrogenase subunit alpha part 1 (EC 1.6.1.2) | protein | 380 | 38% helix, 18% strand | P0C186 |
| C | NAD(P) transhydrogenase subunit beta (EC 1.6.1.2) | protein | 174 | 39% helix, 18% strand | P0C188 |
Ligands and binding sites
- TXD · 1,4,5,6-tetrahydronicotinamide adenine dinucleotide · ligand · 2 copies · chains A, B, C
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains B, C
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1152 | 0.86 | 0.86 | 106 | TXD, NAP |
| 2 | 1096 | 0.78 | 0.80 | 93 | TXD |
| 3 | 297 | 0.59 | 0.78 | 48 | SO4 |
| 4 | 177 | 0.49 | 0.76 | 34 | empty |
| 5 | 153 | 0.43 | 0.75 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1790 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 770 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 436 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2OO5 · Structure of transhydrogenase (dI.H2NADH)2(dIII.NADP+)1 asymmetric complex · the same entry in another collection · chain A against A, TM-score 1.00
- P0C188 · AlphaFold monomer V2.0 prediction for NAD(P) transhydrogenase subunit beta (P0C188) · a predicted model of the same protein · chain C against A, TM-score 0.99
- P0C186 · AlphaFold monomer V2.0 prediction for NAD(P) transhydrogenase subunit alpha part 1… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P0C186
- Every structure of UniProt P0C188
- Elsewhere: RCSB PDB 2OO5 · PDBe 2OO5 · UniProt P0C186 · UniProt P0C188
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