MolNFT v1 · #91513 · protein
Crystal structure of levan fructotransferase D54N mutant from arthrobacter ureafaciens in complex with levanbiose
4FFI: “Crystal structure of levan fructotransferase D54N mutant from arthrobacter ureafaciens in complex with…”. X-ray diffraction, 1 ligand (FRU), 20 pockets (best druggability 0.60). MolNFT v1 #91513 on GenesisL1: 3D structure, binding…
- PDB
- 4FFI
- Type
- protein
- Length
- 1,917 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
- FRU
- Pockets
- 20 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Levan fructotransferase (EC 4.2.2.16) | protein | 480 | 7% helix, 49% strand | Q9KJD0 |
| C | Levan fructotransferase (EC 4.2.2.16) | protein | 479 | 8% helix, 49% strand | Q9KJD0 |
| D | Levan fructotransferase (EC 4.2.2.16) | protein | 478 | 8% helix, 50% strand | Q9KJD0 |
Ligands and binding sites
- FRU · beta-D-fructofuranose · sugar · 21 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 | 267 | 0.60 | 0.79 | 33 | FRU |
| 2 | 276 | 0.60 | 0.79 | 28 | empty |
| 3 | 290 | 0.59 | 0.78 | 28 | empty |
| 4 | 248 | 0.59 | 0.79 | 36 | FRU |
| 5 | 285 | 0.59 | 0.78 | 26 | empty |
Interfaces
4 interfaces between chains.
- A–B · 423 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 313 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 277 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 43 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4FFI · Crystal Structure of Levan Fructotransferase D54N mutant from Arthrobacter ureafaciens in… · 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 4FFI · PDBe 4FFI · UniProt Q9KJD0
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