MolNFT v1 · #18509 · protein
Human L-xylulose reductase holoenzyme
1PR9: “Human L-xylulose reductase holoenzyme”. X-ray diffraction, 3 ligands (NAP, K, 2HP), 6 pockets (best druggability 0.77). MolNFT v1 #18509 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1PR9
- Type
- protein
- Length
- 488 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-xylulose reductase
- EC
- 1.1.1.10
- UniProt
- Q7Z4W1
- Ligands
- NAP, K, 2HP
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | L-xylulose reductase (EC 1.1.1.10) | protein | 244 | 49% helix, 17% strand | Q7Z4W1 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- 2HP · Dihydrogenphosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 392 | 0.77 | 0.86 | 45 | K, NAP, 2HP |
| 2 | 408 | 0.77 | 0.86 | 45 | K, NAP, 2HP |
| 3 | 131 | 0.42 | 0.75 | 17 | empty |
| 4 | 110 | 0.40 | 0.76 | 19 | empty |
| 5 | 69 | 0.30 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 294 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 Q7Z4W1
- Elsewhere: RCSB PDB 1PR9 · PDBe 1PR9 · UniProt Q7Z4W1
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