Research workbench
Siderophore hydrolase estb from aspergillus nidulans
Analyse Siderophore hydrolase estb from aspergillus nidulans in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GUN
- Type
- protein
- Length
- 1,172 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estb from aspergillus nidulans
- Pockets
- 10 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estb from aspergillus nidulans | protein | 295 | 38% helix, 21% strand | — |
| B | Estb from aspergillus nidulans | protein | 289 | 39% helix, 21% strand | — |
| C | Estb from aspergillus nidulans | protein | 290 | 39% helix, 20% strand | — |
| D | Estb from aspergillus nidulans | protein | 298 | 38% helix, 20% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, D, 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 886 | 0.85 | 0.87 | 107 | GOL |
| 2 | 472 | 0.68 | 0.79 | 49 | empty |
| 3 | 167 | 0.66 | 0.86 | 26 | empty |
| 4 | 174 | 0.65 | 0.85 | 25 | empty |
| 5 | 166 | 0.60 | 0.83 | 26 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2273 Ų buried · 43 hydrogen bonds · protein-protein
- B–D · 1050 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 155 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 129 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 34 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6GUN · Siderophore hydrolase EstB from Aspergillus nidulans · 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
- Elsewhere: RCSB PDB 6GUN · PDBe 6GUN
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