MolNFT v1 · #62290 · protein
Crystal structure of insecticidal delta-endotoxin CRY8EA1 from bacillus thuringiensis at 2.2 ångströms resolution
3EB7: “Crystal structure of insecticidal delta-endotoxin CRY8EA1 from bacillus thuringiensis at 2.2 ångströms…”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.81). MolNFT v1 #62290 on GenesisL1: 3D structure, binding…
- PDB
- 3EB7
- Type
- protein
- Length
- 1,766 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insecticidal delta-endotoxin CRY8EA1
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Insecticidal delta-endotoxin CRY8EA1 | protein | 589 | 36% helix, 29% strand | — |
| C | Insecticidal delta-endotoxin CRY8EA1 | protein | 588 | 36% helix, 29% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 13 copies · chains A, B, C
- ACT · Acetate ion · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1012 | 0.81 | 0.82 | 81 | empty |
| 2 | 288 | 0.75 | 0.87 | 39 | empty |
| 3 | 307 | 0.72 | 0.85 | 37 | empty |
| 4 | 290 | 0.72 | 0.86 | 41 | empty |
| 5 | 304 | 0.63 | 0.80 | 39 | SO4 |
Interfaces
2 interfaces between chains.
- A–C · 1513 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 794 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3EB7 · Crystal Structure of Insecticidal Delta-Endotoxin Cry8Ea1 from Bacillus Thuringiensis at… · 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 3EB7 · PDBe 3EB7
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