Research workbench
Siderophore hydrolase estb mutant S148A from aspergillus fumigatus
Analyse Siderophore hydrolase estb mutant S148A 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
- 6GUG
- Type
- protein
- Length
- 556 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Siderophore esterase iroe-like, putative
- UniProt
- Q4WF29
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Siderophore esterase iroe-like, putative | protein | 281 | 42% helix, 21% strand | Q4WF29 |
| B | Siderophore esterase iroe-like, putative | protein | 275 | 44% helix, 21% strand | Q4WF29 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 460 | 0.69 | 0.80 | 45 | GOL, SO4 |
| 2 | 482 | 0.68 | 0.79 | 51 | GOL, SO4 |
| 3 | 118 | 0.58 | 0.85 | 23 | GOL |
| 4 | 178 | 0.57 | 0.81 | 30 | GOL |
| 5 | 51 | 0.35 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1918 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 6GUG · Siderophore hydrolase EstB mutant S148A from Aspergillus fumigatus · the same entry in another collection · chain B against B, TM-score 1.00
- Q4WF29 · AlphaFold monomer V2.0 prediction for siderophore triacetylfusarinine C esterase (Q4WF29) · a predicted model of the same protein · chain B 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 Q4WF29
- Elsewhere: RCSB PDB 6GUG · PDBe 6GUG · UniProt Q4WF29
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