MolNFT v1 · #13305 · protein
Crystal structure of R. rubrum transhydrogenase domain I without bound NAD(H)
1L7D · Nicotinamide nucleotide transhydrogenase, subunit alpha 1: “Crystal structure of R. rubrum transhydrogenase domain I without bound NAD(H)”. X-ray diffraction, 17 pockets (best druggability 0.74). MolNFT v1 #13305 on GenesisL1: 3D…
- PDB
- 1L7D
- Type
- protein
- Length
- 1,420 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinamide nucleotide transhydrogenase, subunit alpha 1
- EC
- 1.6.1.1
- UniProt
- Q60164
- Pockets
- 17 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nicotinamide nucleotide transhydrogenase, subunit alpha 1 (EC 1.6.1.1) | protein | 354 | 38% helix, 20% strand | Q60164 |
| B | Nicotinamide nucleotide transhydrogenase, subunit alpha 1 (EC 1.6.1.1) | protein | 358 | 37% helix, 20% strand | Q60164 |
| C | Nicotinamide nucleotide transhydrogenase, subunit alpha 1 (EC 1.6.1.1) | protein | 355 | 39% helix, 19% strand | Q60164 |
| D | Nicotinamide nucleotide transhydrogenase, subunit alpha 1 (EC 1.6.1.1) | protein | 353 | 39% helix, 21% strand | Q60164 |
Pockets
17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 864 | 0.74 | 0.78 | 80 | empty |
| 2 | 881 | 0.73 | 0.78 | 77 | empty |
| 3 | 806 | 0.69 | 0.76 | 69 | empty |
| 4 | 619 | 0.68 | 0.77 | 49 | empty |
| 5 | 559 | 0.67 | 0.77 | 43 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1718 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1716 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 598 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 86 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1L7D · Crystal Structure of R. rubrum Transhydrogenase Domain I without Bound NAD(H) · 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
- Elsewhere: RCSB PDB 1L7D · PDBe 1L7D · UniProt Q60164
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