MolNFT v1 · #78211 · protein
The crystal structure of sucrose synthase-1 from arabidopsis thaliana and its functional implications.
3S29 · Sucrose synthase 1: “The crystal structure of sucrose synthase-1 from arabidopsis thaliana and its functional implications.”. X-ray diffraction, 4 ligands (UDP, FRU, K), 20 pockets (best druggability 0.86). MolNFT v1 #78211 on…
- PDB
- 3S29
- Type
- protein
- Length
- 6,274 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sucrose synthase 1
- EC
- 2.4.1.13
- UniProt
- P49040
- Ligands
- UDP, FRU, K, SO4
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E, F, G | Sucrose synthase 1 (EC 2.4.1.13) | protein | 781 | 48% helix, 17% strand | P49040 |
| B | Sucrose synthase 1 (EC 2.4.1.13) | protein | 791 | 46% helix, 16% strand | P49040 |
| H | Sucrose synthase 1 (EC 2.4.1.13) | protein | 797 | 47% helix, 16% strand | P49040 |
Ligands and binding sites
- UDP · Uridine-5'-diphosphate · ligand · 8 copies · chains A, B, C, D, E, F, G, H
- FRU · beta-D-fructofuranose · sugar · 8 copies · chains A, B, C, D, E, F, G, H
- K · Potassium ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
- SO4 · Sulfate ion · ion · 30 copies · chains A, B, C, D, E, F, G, H
- MLA · Malonic acid · additive · 12 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.86 | 0.95 | 63 | UDP, FRU |
| 2 | 377 | 0.86 | 0.95 | 61 | UDP, FRU |
| 3 | 386 | 0.86 | 0.94 | 62 | UDP, FRU |
| 4 | 369 | 0.85 | 0.94 | 59 | UDP, FRU |
| 5 | 305 | 0.85 | 0.95 | 45 | UDP, FRU |
Interfaces
13 interfaces between chains.
- E–H · 1348 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 1344 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 1325 Ų buried · 12 hydrogen bonds · protein-protein
- F–G · 1316 Ų buried · 14 hydrogen bonds · protein-protein
- G–H · 1168 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 3S29 · The crystal structure of sucrose synthase-1 from Arabidopsis thaliana and its functional… · the same entry in another collection · chain H against H, TM-score 1.00
- P49040 · AlphaFold monomer V2.0 prediction for sucrose synthase 1 (P49040) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P49040
- Elsewhere: RCSB PDB 3S29 · PDBe 3S29 · UniProt P49040
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