MolNFT v1 · #111319 · protein
OYE1 W116A complexed with (Z)-methyl-3-cyano-3-phenylacrylate in a non productive binding mode
4YNC · NADPH dehydrogenase 1: “OYE1 W116A complexed with (Z)-methyl-3-cyano-3-phenylacrylate in a non productive binding mode”. X-ray diffraction, 3 ligands (FMN, 4EG, CL), 1 pocket (best druggability 0.81). MolNFT v1 #111319 on GenesisL1…
- PDB
- 4YNC
- Type
- protein
- Length
- 397 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADPH dehydrogenase 1
- EC
- 1.6.99.1
- UniProt
- Q02899
- Ligands
- FMN, 4EG, CL
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADPH dehydrogenase 1 (EC 1.6.99.1) | protein | 397 | 37% helix, 14% strand | Q02899 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- 4EG · methyl (2Z)-3-cyano-3-phenylprop-2-enoate · ligand · chains A
- CL · Chloride ion · ion · 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 | 320 | 0.81 | 0.91 | 50 | FMN, 4EG |
Compared structures
- 4YNC · OYE1 W116A complexed with (Z)-methyl-3-cyano-3-phenylacrylate in a non productive binding… · the same entry in another collection · chain A against A, TM-score 1.00
- Q02899 · AlphaFold monomer V2.0 prediction for NADPH dehydrogenase 1 (Q02899) · a predicted model of the same protein · 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 Q02899
- Elsewhere: RCSB PDB 4YNC · PDBe 4YNC · UniProt Q02899
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