MolNFT v1 · #78183 · protein
ASP169GLU mutant of maize cytokinin OXIDASE/DEHYDROGENASE complexed with N6-isopentenyladenine
3S1F · Cytokinin dehydrogenase 1: “ASP169GLU mutant of maize cytokinin OXIDASE/DEHYDROGENASE complexed with N6-isopentenyladenine”. X-ray diffraction, 3 ligands (FAD, ZIP, NAG), 4 pockets (best druggability 0.86). MolNFT v1 #78183 on…
- PDB
- 3S1F
- Type
- protein
- Length
- 498 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytokinin dehydrogenase 1
- EC
- 1.5.99.12
- UniProt
- Q9T0N8
- Ligands
- FAD, ZIP, NAG
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytokinin dehydrogenase 1 (EC 1.5.99.12) | protein | 498 | 37% helix, 22% strand | Q9T0N8 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- ZIP · N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
- GOL · Glycerol · additive · 8 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 724 | 0.86 | 0.90 | 77 | FAD, ZIP, GOL |
| 2 | 296 | 0.62 | 0.79 | 30 | GOL |
| 3 | 70 | 0.34 | 0.76 | 16 | PEG |
| 4 | 81 | 0.31 | 0.73 | 15 | GOL |
Modifications
Observed in the structure: 4 glycan, 1 cofactor (N-glycosylation, flavinylation).
Compared structures
- 3S1F · Asp169Glu mutant of maize cytokinin oxidase/dehydrogenase complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9T0N8 · AlphaFold monomer V2.0 prediction for cytokinin dehydrogenase 1 (Q9T0N8) · 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 Q9T0N8
- Elsewhere: RCSB PDB 3S1F · PDBe 3S1F · UniProt Q9T0N8
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