Research workbench
Mosquitocidal CRY11BA determined at pH 10.4 from naturally-occurring nanocrystals by serial femtosecond crystallography
Analyse Mosquitocidal CRY11BA determined at pH 10.4 from naturally-occurring… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7R1E
- Type
- protein
- Length
- 1,247 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pesticidal crystal protein CRY11BA
- UniProt
- Q45730
- Pockets
- 11 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pesticidal crystal protein CRY11BA | protein | 626 | 32% helix, 29% strand | Q45730 |
| B | Pesticidal crystal protein CRY11BA | protein | 621 | 32% helix, 29% strand | Q45730 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 938 | 0.82 | 0.84 | 103 | empty |
| 2 | 149 | 0.62 | 0.85 | 27 | empty |
| 3 | 253 | 0.60 | 0.80 | 32 | empty |
| 4 | 252 | 0.60 | 0.79 | 22 | empty |
| 5 | 254 | 0.59 | 0.79 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 799 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7R1E · Mosquitocidal Cry11Ba determined at pH 10.4 from naturally-occurring nanocrystals by… · the same entry in another collection · chain A against A, TM-score 1.00
- Q45730 · AlphaFold monomer V2.0 prediction for pesticidal crystal protein CRY11BA (Q45730) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 Q45730
- Elsewhere: RCSB PDB 7R1E · PDBe 7R1E · UniProt Q45730
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