MolNFT v1 · #30951 · protein
Crystal structure of fructan 1-exohydrolase iia (E201Q) from cichorium intybus in complex with 1-kestose
2AEZ: “Crystal structure of fructan 1-exohydrolase iia (E201Q) from cichorium intybus in complex with 1-kestose”. X-ray diffraction, 5 ligands (NAG, BMA, FRU), 4 pockets (best druggability 0.60). MolNFT v1 #30951 on GenesisL1: 3D…
- PDB
- 2AEZ
- Type
- protein
- Length
- 536 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructan 1-exohydrolase iia
- EC
- 3.2.1.153
- UniProt
- Q93X60
- Ligands
- NAG, BMA, FRU, NDG, GLC
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructan 1-exohydrolase iia (EC 3.2.1.153) | protein | 536 | 7% helix, 48% strand | Q93X60 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 2 copies
- FRU · beta-D-fructofuranose · sugar · 2 copies · chains A
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A
- GLC · alpha-D-glucopyranose · sugar · 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 | 372 | 0.60 | 0.77 | 44 | empty |
| 2 | 118 | 0.54 | 0.83 | 26 | empty |
| 3 | 85 | 0.36 | 0.75 | 13 | FRU |
| 4 | 50 | 0.29 | 0.76 | 16 | empty |
Modifications
Observed in the structure: 2 glycan, 1 disulfide (N-glycosylation, disulfide).
Compared structures
- 2AEZ · Crystal structure of fructan 1-exohydrolase IIa (E201Q) from Cichorium intybus 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 Q93X60
- Elsewhere: RCSB PDB 2AEZ · PDBe 2AEZ · UniProt Q93X60
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