MolNFT v1 · #79995 · protein
Crystal structure of a novel oye from the xylose-fermenting fungus P. stipitis
3TJL · NADPH dehydrogenase: “Crystal structure of a novel oye from the xylose-fermenting fungus P. stipitis”. X-ray diffraction, 2 ligands (FMN, NA), 1 pocket (best druggability 0.76). MolNFT v1 #79995 on GenesisL1: 3D structure, binding…
- PDB
- 3TJL
- Type
- protein
- Length
- 404 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADPH dehydrogenase
- EC
- 1.6.99.1
- UniProt
- A3LT82
- Ligands
- FMN, NA
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADPH dehydrogenase (EC 1.6.99.1) | protein | 404 | 42% helix, 16% strand | A3LT82 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- NA · Sodium ion · metal · 4 copies · chains A
- MLA · Malonic acid · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 341 | 0.76 | 0.87 | 52 | FMN, NA, MLA |
Compared structures
- 3TJL · Crystal Structure of a Novel OYE from the Xylose-fermenting Fungus P. stipitis · 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 A3LT82
- Elsewhere: RCSB PDB 3TJL · PDBe 3TJL · UniProt A3LT82
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