MolNFT v1 · #113982 · protein
Crystal structure of GH1 beta-glucosidase TD2F2 N223Q mutant
5AYI: “Crystal structure of GH1 beta-glucosidase TD2F2 N223Q mutant”. X-ray diffraction, 2 ligands (BGC, NA), 1 pocket (best druggability 0.66). MolNFT v1 #113982 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5AYI
- Type
- protein
- Length
- 441 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-glucosidase
- EC
- 3.2.1.21
- Ligands
- BGC, NA
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-glucosidase (EC 3.2.1.21) | protein | 441 | 45% helix, 16% strand | — |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · chains A
- NA · Sodium ion · metal · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 416 | 0.66 | 0.79 | 45 | BGC, GOL |
Compared structures
- 5AYI · Crystal structure of GH1 Beta-glucosidase TD2F2 N223Q mutant · 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
- Elsewhere: RCSB PDB 5AYI · PDBe 5AYI
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