Research workbench
Crystal structure of ABC transporter solute binding protein from thermobispora bispora dsm 43833
Analyse Crystal structure of ABC transporter solute binding protein from thermobispora… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PE6
- Type
- protein
- Length
- 646 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ABC transporter
- UniProt
- D6Y8L8
- Ligands
- LTH
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative ABC transporter | protein | 322 | 43% helix, 19% strand | D6Y8L8 |
| B | Putative ABC transporter | protein | 324 | 43% helix, 19% strand | D6Y8L8 |
Ligands and binding sites
- LTH · (2R,3S)-2,3,4-trihydroxybutanoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 95 | 0.78 | 0.98 | 26 | LTH |
| 2 | 55 | 0.69 | 0.97 | 18 | empty |
| 3 | 503 | 0.62 | 0.75 | 49 | empty |
| 4 | 97 | 0.45 | 0.79 | 25 | empty |
| 5 | 156 | 0.41 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 225 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 10 modified, 4 disulfide (engineered, disulfide).
Compared structures
- 4PE6 · Crystal structure of ABC transporter solute binding protein from Thermobispora bispora… · 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
- Every structure of UniProt D6Y8L8
- Elsewhere: RCSB PDB 4PE6 · PDBe 4PE6 · UniProt D6Y8L8
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