Research workbench
Siderophore hydrolase EstB from Aspergillus fumigatus
Analyse Siderophore hydrolase EstB from Aspergillus fumigatus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GUP
- Type
- protein
- Length
- 661 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.85
- Source
- Aspergillus fumigatus
- Molecule
- Siderophore biosynthesis lipase/esterase, putative
- UniProt
- Q4WF56
- Pockets
- 10 · best druggability 0.69
Structure
x-ray diffraction · resolution 1.85 · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Siderophore biosynthesis lipase/esterase, putative | protein | 340 | 40% helix, 16% strand | Q4WF56 |
| B | Siderophore biosynthesis lipase/esterase, putative | protein | 321 | 43% helix, 17% strand | Q4WF56 |
Ligands and binding sites
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 565 | 0.69 | 0.79 | 66 | empty |
| 2 | 410 | 0.67 | 0.80 | 62 | empty |
| 3 | 60 | 0.44 | 0.83 | 19 | empty |
| 4 | 91 | 0.43 | 0.79 | 15 | empty |
| 5 | 78 | 0.40 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1498 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
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 Q4WF56
- Elsewhere: RCSB PDB 6GUP · PDBe 6GUP · UniProt Q4WF56
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