MolNFT v1 · #102038 · protein
Crystal structure of thermus thermophilis transhydrogeanse domain II dimer semet derivative
4O9P · NAD(P) transhydrogenase subunit alpha 2: “Crystal structure of thermus thermophilis transhydrogeanse domain II dimer semet derivative”. X-ray diffraction, 11 pockets (best druggability 0.52). MolNFT v1 #102038 on GenesisL1: 3D…
- PDB
- 4O9P
- Type
- protein
- Length
- 707 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD(P) transhydrogenase subunit alpha 2; NAD(P) transhydrogenase subunit beta
- EC
- 1.6.1.2
- UniProt
- Q72GR9, Q72GS0
- Pockets
- 11 · best druggability 0.52
Structure
x-ray diffraction · 4 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | NAD(P) transhydrogenase subunit alpha 2 (EC 1.6.1.2) | protein | 89 | 80% helix, 0% strand | Q72GR9 |
| D | NAD(P) transhydrogenase subunit beta (EC 1.6.1.2) | protein | 260 | 77% helix, 0% strand | Q72GS0 |
| A | NAD(P) transhydrogenase subunit alpha 2 (EC 1.6.1.2) | protein | 94 | 77% helix, 0% strand | Q72GR9 |
| B | NAD(P) transhydrogenase subunit beta (EC 1.6.1.2) | protein | 264 | 80% helix, 0% strand | Q72GS0 |
Pockets
11 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 199 | 0.52 | 0.77 | 34 | empty |
| 2 | 146 | 0.48 | 0.77 | 19 | empty |
| 3 | 140 | 0.46 | 0.76 | 18 | empty |
| 4 | 130 | 0.45 | 0.76 | 19 | empty |
| 5 | 149 | 0.43 | 0.74 | 19 | empty |
Interfaces
5 interfaces between chains.
- A–B · 3637 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 3576 Ų buried · 16 hydrogen bonds · protein-protein
- C–A · 616 Ų buried · 2 hydrogen bonds · protein-protein
- D–A · 530 Ų buried · 1 hydrogen bond · protein-protein
- C–B · 494 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 42 modified (engineered).
Compared structures
- 4O9P · Crystal structure of Thermus thermophilis transhydrogeanse domain II dimer SeMet… · the same entry in another collection · chain C against C, 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 Q72GR9
- Every structure of UniProt Q72GS0
- Elsewhere: RCSB PDB 4O9P · PDBe 4O9P · UniProt Q72GR9 · UniProt Q72GS0
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