MolNFT v1 · #168724 · protein
Crystal structure of bacillus thuringiensis CRY1A.2 tryptic core variant
6WPC: “Crystal structure of bacillus thuringiensis CRY1A.2 tryptic core variant”. X-ray diffraction, 20 pockets (best druggability 0.75). MolNFT v1 #168724 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6WPC
- Type
- protein
- Length
- 2,352 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRY1A.2
- Pockets
- 20 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | CRY1A.2 | protein | 588 | 35% helix, 28% strand | — |
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 860 | 0.75 | 0.79 | 92 | empty |
| 2 | 1157 | 0.73 | 0.77 | 94 | empty |
| 3 | 314 | 0.69 | 0.83 | 36 | empty |
| 4 | 324 | 0.68 | 0.83 | 37 | empty |
| 5 | 326 | 0.68 | 0.82 | 35 | empty |
Interfaces
4 interfaces between chains.
- A–C · 1238 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 1221 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 352 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 307 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6WPC · Crystal structure of Bacillus thuringiensis Cry1A.2 tryptic core variant · 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 6WPC · PDBe 6WPC
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