Research workbench
Crystal structure of bacillus subtilis expansin (EXLX1) in complex with cellohexaose
Analyse Crystal structure of bacillus subtilis expansin (EXLX1) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FER
- Type
- protein
- Length
- 414 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Expansin-yoaj
- UniProt
- O34918
- Ligands
- BGC, SO4
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Expansin-yoaj | protein | 207 | 7% helix, 40% strand | O34918 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 6 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- ACY · Acetic acid · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 267 | 0.50 | 0.74 | 26 | BGC |
| 2 | 90 | 0.35 | 0.74 | 16 | GOL |
Interfaces
1 interface between chains.
- A–B · 17 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4FER · Crystal structure of Bacillus Subtilis expansin (EXLX1) in complex with cellohexaose · the same entry in another collection · chain A against A, TM-score 1.00
- O34918 · AlphaFold monomer V2.0 prediction for expansin-yoaj (O34918) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O34918
- Elsewhere: RCSB PDB 4FER · PDBe 4FER · UniProt O34918
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