Research workbench
Monoclinic crystal structure of hydrophobin hfbii in presence of a detergent
Analyse Monoclinic crystal structure of hydrophobin hfbii in presence of a detergent in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PL6
- Type
- protein
- Length
- 568 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrophobin-2
- UniProt
- P79073
- Pockets
- 6 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Hydrophobin-2 | protein | 71 | 13% helix, 30% strand | P79073 |
Ligands and binding sites
- HTG · heptyl 1-thio-beta-D-glucopyranoside · additive · 3 copies · chains F, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 330 | 0.61 | 0.78 | 58 | empty |
| 2 | 323 | 0.59 | 0.77 | 46 | empty |
| 3 | 304 | 0.58 | 0.77 | 35 | empty |
| 4 | 117 | 0.46 | 0.78 | 27 | empty |
| 5 | 80 | 0.42 | 0.79 | 24 | empty |
Interfaces
10 interfaces between chains.
- D–G · 458 Ų buried · 6 hydrogen bonds · protein-protein
- A–F · 425 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 416 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 408 Ų buried · 6 hydrogen bonds · protein-protein
- C–H · 386 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 disulfide (disulfide).
Compared structures
- 2PL6 · Monoclinic crystal structure of hydrophobin HFBII in presence of a detergent · the same entry in another collection · chain H against H, TM-score 1.00
- P79073 · AlphaFold monomer V2.0 prediction for hydrophobin-2 (P79073) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P79073
- Elsewhere: RCSB PDB 2PL6 · PDBe 2PL6 · UniProt P79073
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