Research workbench
Siderophore hydrolase estb mutant H267N from aspergillus fumigatus
Analyse Siderophore hydrolase estb mutant H267N 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
- 6GUI
- Type
- protein
- Length
- 566 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Siderophore esterase iroe-like, putative
- UniProt
- Q4WF29
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Siderophore esterase iroe-like, putative | protein | 283 | 41% helix, 22% strand | Q4WF29 |
Ligands and binding sites
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 473 | 0.67 | 0.79 | 52 | GOL |
| 2 | 438 | 0.66 | 0.79 | 44 | empty |
| 3 | 128 | 0.59 | 0.84 | 22 | GOL |
| 4 | 128 | 0.58 | 0.84 | 23 | GOL |
| 5 | 51 | 0.41 | 0.82 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2069 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 6GUI · Siderophore hydrolase EstB mutant H267N from Aspergillus fumigatus · the same entry in another collection · chain A against A, TM-score 1.00
- Q4WF29 · AlphaFold monomer V2.0 prediction for siderophore triacetylfusarinine C esterase (Q4WF29) · a predicted model of the same protein · 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 Q4WF29
- Elsewhere: RCSB PDB 6GUI · PDBe 6GUI · UniProt Q4WF29
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