MolNFT v1 · #11229 · protein
Crystal structure of the active site mutant GLU328GLN of amylosucrase from neisseria polysaccharea in complex with the natural substrate sucrose
1JGI: “Crystal structure of the active site mutant GLU328GLN of amylosucrase from neisseria polysaccharea in complex…”. X-ray diffraction, 2 ligands (GLC, FRU), 6 pockets (best druggability 0.75). MolNFT v1 #11229 on GenesisL1: 3D…
- PDB
- 1JGI
- Type
- protein
- Length
- 628 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amylosucrase
- EC
- 2.4.1.4
- UniProt
- Q9ZEU2
- Ligands
- GLC, FRU
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amylosucrase (EC 2.4.1.4) | protein | 628 | 42% helix, 15% strand | Q9ZEU2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 404 | 0.75 | 0.85 | 51 | GLC, FRU |
| 2 | 192 | 0.58 | 0.80 | 36 | empty |
| 3 | 72 | 0.42 | 0.80 | 13 | empty |
| 4 | 55 | 0.32 | 0.77 | 13 | empty |
| 5 | 65 | 0.30 | 0.74 | 18 | empty |
Compared structures
- 1JGI · Crystal Structure of the Active Site Mutant Glu328Gln of Amylosucrase from Neisseria… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9ZEU2 · AlphaFold monomer V2.0 prediction for amylosucrase (Q9ZEU2) · a predicted model of the same protein · 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 Q9ZEU2
- Elsewhere: RCSB PDB 1JGI · PDBe 1JGI · UniProt Q9ZEU2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.