MolNFT v1 · #163511 · protein
Structure of ovine transhydrogenase in the apo state
6S59 · Nicotinamide nucleotide transhydrogenase: “Structure of ovine transhydrogenase in the apo state”. Electron microscopy, 1 ligand (PC1), 20 pockets (best druggability 0.83). MolNFT v1 #163511 on GenesisL1: 3D structure, binding sites…
- PDB
- 6S59
- Type
- protein
- Length
- 2,066 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinamide nucleotide transhydrogenase
- UniProt
- W5PFI3
- Ligands
- PC1
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 1 distinct chain · 48% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nicotinamide nucleotide transhydrogenase | protein | 1033 | 48% helix, 7% strand | W5PFI3 |
Ligands and binding sites
- PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine · ligand · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1006 | 0.83 | 0.84 | 125 | empty |
| 2 | 1197 | 0.82 | 0.83 | 158 | empty |
| 3 | 695 | 0.80 | 0.84 | 96 | empty |
| 4 | 313 | 0.75 | 0.87 | 54 | empty |
| 5 | 669 | 0.74 | 0.80 | 81 | empty |
Interfaces
1 interface between chains.
- A–B · 3259 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6S59 · Structure of ovine transhydrogenase in the apo state · the same entry in another collection · chain A against A, TM-score 1.00
- W5PFI3 · AlphaFold monomer V2.0 prediction for NAD(P) transhydrogenase, mitochondrial (W5PFI3) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 W5PFI3
- Elsewhere: RCSB PDB 6S59 · PDBe 6S59 · UniProt W5PFI3
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