MolNFT v1 · #95739 · protein
Crystal structure of the ALPHA1 dimer of thermus thermophilus transhydrogenase in P6
4IZH · NAD/NADP transhydrogenase alpha subunit 1: “Crystal structure of the ALPHA1 dimer of thermus thermophilus transhydrogenase in P6”. X-ray diffraction, 7 pockets (best druggability 0.75). MolNFT v1 #95739 on GenesisL1: 3D structure…
- PDB
- 4IZH
- Type
- protein
- Length
- 726 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD/NADP transhydrogenase alpha subunit 1
- EC
- 1.6.1.2
- UniProt
- Q72GR8
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NAD/NADP transhydrogenase alpha subunit 1 (EC 1.6.1.2) | protein | 361 | 38% helix, 20% strand | Q72GR8 |
| B | NAD/NADP transhydrogenase alpha subunit 1 (EC 1.6.1.2) | protein | 365 | 38% helix, 19% strand | Q72GR8 |
Ligands and binding sites
- GOL · Glycerol · additive · 13 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 806 | 0.75 | 0.79 | 76 | GOL |
| 2 | 736 | 0.73 | 0.78 | 67 | GOL |
| 3 | 112 | 0.41 | 0.76 | 19 | GOL |
| 4 | 99 | 0.38 | 0.75 | 17 | GOL |
| 5 | 87 | 0.34 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1993 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4IZH · Crystal Structure of the Alpha1 dimer of Thermus thermophilus Transhydrogenase in P6 · 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 Q72GR8
- Elsewhere: RCSB PDB 4IZH · PDBe 4IZH · UniProt Q72GR8
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