MolNFT v1 · #33088 · protein
Structure of the functional form of the mosquito-larvicidal CRY4AA toxin from bacillus thuringiensis at 2.8 a resolution
2C9K · Pesticidal crystal protein CRY4AA: “Structure of the functional form of the mosquito-larvicidal CRY4AA toxin from bacillus thuringiensis at 2.8 a…”. X-ray diffraction, 6 pockets (best druggability 0.73). MolNFT v1 #33088 on…
- PDB
- 2C9K
- Type
- protein
- Length
- 598 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pesticidal crystal protein CRY4AA
- UniProt
- P16480
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pesticidal crystal protein CRY4AA | protein | 598 | 31% helix, 27% strand | P16480 |
Ligands and binding sites
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
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 | 320 | 0.73 | 0.85 | 40 | empty |
| 2 | 282 | 0.58 | 0.78 | 52 | empty |
| 3 | 256 | 0.50 | 0.75 | 41 | empty |
| 4 | 54 | 0.49 | 0.86 | 21 | empty |
| 5 | 53 | 0.39 | 0.81 | 13 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2C9K · Structure of the functional form of the mosquito-larvicidal Cry4Aa toxin from Bacillus… · the same entry in another collection · chain A against A, TM-score 1.00
- P16480 · AlphaFold monomer V2.0 prediction for pesticidal crystal protein CRY4AA (P16480) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P16480
- Elsewhere: RCSB PDB 2C9K · PDBe 2C9K · UniProt P16480
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