MolNFT v1 · #141427 · protein
Crystal structure of ALKALINE/NEUTRAL invertase invb from anabaena sp. pcc 7120 complexed with sucrose
5Z74 · ALR0819 protein: “Crystal structure of ALKALINE/NEUTRAL invertase invb from anabaena sp. pcc 7120 complexed with sucrose”. X-ray diffraction, 2 ligands (GLC, FRU), 7 pockets (best druggability 0.79). MolNFT v1 #141427 on GenesisL1…
- PDB
- 5Z74
- Type
- protein
- Length
- 873 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALR0819 protein
- EC
- 3.2.1.26
- UniProt
- Q8YYM9
- Ligands
- GLC, FRU
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | ALR0819 protein (EC 3.2.1.26) | protein | 432 | 49% helix, 13% strand | Q8YYM9 |
| A | ALR0819 protein (EC 3.2.1.26) | protein | 441 | 49% helix, 13% strand | Q8YYM9 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains B, A
- FRU · beta-D-fructofuranose · sugar · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 153 | 0.79 | 0.96 | 47 | empty |
| 2 | 648 | 0.77 | 0.83 | 67 | empty |
| 3 | 298 | 0.72 | 0.85 | 20 | empty |
| 4 | 187 | 0.62 | 0.83 | 24 | empty |
| 5 | 243 | 0.58 | 0.79 | 28 | GLC, FRU |
Interfaces
1 interface between chains.
- B–A · 2804 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered).
Compared structures
- 5Z74 · Crystal structure of alkaline/neutral invertase InvB from Anabaena sp. PCC 7120 complexed… · the same entry in another collection · chain B against B, 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 Q8YYM9
- Elsewhere: RCSB PDB 5Z74 · PDBe 5Z74 · UniProt Q8YYM9
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