MolNFT v1 · #43713 · protein
Computational design of an eight-stranded (BETA/ALPHA)-barrel from fragments of different folds
2LLE · Chemotaxis protein chey, imidazole glycerol phosphate…: “Computational design of an eight-stranded (BETA/ALPHA)-barrel from fragments of different folds”. Solution nmr, 3 pockets (best druggability 0.69). MolNFT v1 #43713 on…
- PDB
- 2LLE
- Type
- protein
- Length
- 234 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chemotaxis protein chey, imidazole glycerol phosphate synthase subunit hisf chimera
- EC
- 4.1.3.-
- UniProt
- Q56312, Q9X0C6
- Pockets
- 3 · best druggability 0.69
Structure
solution nmr · 1 distinct chain · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chemotaxis protein chey, imidazole glycerol phosphate synthase subunit hisf chimera (EC 4.1.3.-) | protein | 234 | 41% helix, 23% strand | Q56312, Q9X0C6 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 514 | 0.69 | 0.79 | 59 | empty |
| 2 | 52 | 0.33 | 0.78 | 12 | empty |
| 3 | 77 | 0.33 | 0.74 | 10 | empty |
Compared structures
- 2LLE · Computational design of an eight-stranded (beta/alpha)-barrel from fragments of different… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9X0C6 · AlphaFold monomer V2.0 prediction for imidazole glycerol phosphate synthase subunit hisf… · a predicted model of the same protein · chain A against A, TM-score 0.88
- Q56312 · AlphaFold monomer V2.0 prediction for chemotaxis protein chey (Q56312) · a predicted model of the same protein · chain A against A, TM-score 0.36
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 Q56312
- Every structure of UniProt Q9X0C6
- Elsewhere: RCSB PDB 2LLE · PDBe 2LLE · UniProt Q56312 · UniProt Q9X0C6
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