MolNFT v1 · #20756 · protein
Deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form
1ROZ: “Deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form”. X-ray diffraction, 1 ligand (NAD), 5 pockets (best druggability 0.63). MolNFT v1 #20756 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1ROZ
- Type
- protein
- Length
- 657 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Deoxyhypusine synthase
- EC
- 2.5.1.46
- UniProt
- P49366
- Ligands
- NAD
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Deoxyhypusine synthase (EC 2.5.1.46) | protein | 336 | 51% helix, 12% strand | P49366 |
| B | Deoxyhypusine synthase (EC 2.5.1.46) | protein | 321 | 52% helix, 12% strand | P49366 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 455 | 0.63 | 0.76 | 59 | empty |
| 2 | 217 | 0.59 | 0.80 | 30 | empty |
| 3 | 156 | 0.49 | 0.78 | 18 | empty |
| 4 | 84 | 0.32 | 0.73 | 15 | empty |
| 5 | 66 | 0.29 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2560 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 1ROZ · Deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form · the same entry in another collection · chain A against A, TM-score 1.00
- P49366 · AlphaFold monomer V2.0 prediction for deoxyhypusine synthase (P49366) · a predicted model of the same protein · chain B 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 P49366
- Elsewhere: RCSB PDB 1ROZ · PDBe 1ROZ · UniProt P49366
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