Research workbench
Crystal structure of TXGH116 E730A mutant from thermoanaerobacterium xylanolyticum with glucose
Analyse Crystal structure of TXGH116 E730A mutant from thermoanaerobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7W2S
- Type
- protein
- Length
- 771 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucosylceramidase
- EC
- 3.2.1.45
- UniProt
- F6BL85
- Ligands
- BGC, CA
- Pockets
- 6 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucosylceramidase (EC 3.2.1.45) | protein | 771 | 30% helix, 23% strand | F6BL85 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · chains A
- GOL · Glycerol · additive · 9 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.52 | 0.80 | 25 | BGC, GOL |
| 2 | 122 | 0.43 | 0.76 | 21 | empty |
| 3 | 84 | 0.36 | 0.76 | 25 | empty |
| 4 | 56 | 0.32 | 0.77 | 13 | GOL |
| 5 | 53 | 0.29 | 0.75 | 12 | GOL |
Compared structures
- 7W2S · Crystal structure of TxGH116 E730A mutant from Thermoanaerobacterium xylanolyticum with… · 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 F6BL85
- Elsewhere: RCSB PDB 7W2S · PDBe 7W2S · UniProt F6BL85
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