MolNFT v1 · #91511 · protein
Crystal structure of levan fructotransferase from arthrobacter ureafaciens in complex with dfa-IV
4FFG: “Crystal structure of levan fructotransferase from arthrobacter ureafaciens in complex with dfa-IV”. X-ray diffraction, 2 ligands (0U8, FRU), 20 pockets (best druggability 0.59). MolNFT v1 #91511 on GenesisL1: 3D structure, binding…
- PDB
- 4FFG
- Type
- protein
- Length
- 1,919 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Levan fructotransferase
- EC
- 4.2.2.16
- UniProt
- Q9KJD0
- Ligands
- 0U8, FRU
- Pockets
- 20 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Levan fructotransferase (EC 4.2.2.16) | protein | 480 | 8% helix, 50% strand | Q9KJD0 |
| C | Levan fructotransferase (EC 4.2.2.16) | protein | 479 | 8% helix, 51% strand | Q9KJD0 |
Ligands and binding sites
- 0U8 · (1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol · ligand · 4 copies · chains A, B, C, D
- FRU · beta-D-fructofuranose · sugar · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.59 | 0.78 | 27 | empty |
| 2 | 252 | 0.59 | 0.79 | 35 | empty |
| 3 | 300 | 0.59 | 0.78 | 36 | empty |
| 4 | 251 | 0.58 | 0.79 | 33 | empty |
| 5 | 232 | 0.56 | 0.78 | 34 | empty |
Interfaces
4 interfaces between chains.
- A–B · 408 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 336 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 291 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 50 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4FFG · Crystal Structure of Levan Fructotransferase from Arthrobacter ureafaciens in complex… · 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 Q9KJD0
- Elsewhere: RCSB PDB 4FFG · PDBe 4FFG · UniProt Q9KJD0
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