MolNFT v1 · #37177 · protein
Structure of transhydrogenase (DI.D135N.NAD+)2(DIII.E155W.NADP+)1 asymmetric complex
2FSV · NAD(P) transhydrogenase subunit alpha part 1: “Structure of transhydrogenase (DI.D135N.NAD+)2(DIII.E155W.NADP+)1 asymmetric complex”. X-ray diffraction, 2 ligands (NAD, NAP), 10 pockets (best druggability 0.80). MolNFT v1 #37177 on…
- PDB
- 2FSV
- Type
- protein
- Length
- 901 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
- Q60164, Q59765
- Ligands
- NAD, NAP
- Pockets
- 10 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NAD(P) transhydrogenase subunit alpha part 1 (EC 1.6.1.2) | protein | 366 | 37% helix, 19% strand | Q60164 |
| B | NAD(P) transhydrogenase subunit alpha part 1 (EC 1.6.1.2) | protein | 361 | 36% helix, 19% strand | Q60164 |
| C | NAD(P) transhydrogenase subunit beta (EC 1.6.1.2) | protein | 174 | 41% helix, 18% strand | Q59765 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains B, C
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 938 | 0.80 | 0.82 | 95 | GOL, NAP |
| 2 | 928 | 0.75 | 0.79 | 75 | NAD, GOL |
| 3 | 349 | 0.55 | 0.75 | 49 | empty |
| 4 | 216 | 0.54 | 0.78 | 28 | empty |
| 5 | 163 | 0.44 | 0.74 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1819 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 736 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 438 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2FSV · Structure of transhydrogenase (dI.D135N.NAD+)2(dIII.E155W.NADP+)1 asymmetric complex · 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 Q60164
- Every structure of UniProt Q59765
- Elsewhere: RCSB PDB 2FSV · PDBe 2FSV · UniProt Q60164 · UniProt Q59765
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