MolNFT v1 · #103354 · protein
Crystal structure of ABC transporter solute binding protein from thermobispora bispora dsm 43833
4PE6 · Putative ABC transporter: “Crystal structure of ABC transporter solute binding protein from thermobispora bispora dsm 43833”. X-ray diffraction, 1 ligand (LTH), 9 pockets (best druggability 0.78). MolNFT v1 #103354 on GenesisL1: 3D…
- 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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