MolNFT v1 · #109859 · protein
Crystal structure of a trap periplasmic solute binding protein from chromohalobacter salexigens dsm 3043 (CSAL_0678), target efi-501078, with bound (S)-(+)-2-amino-1-propanol.
4XF5 · Twin-arginine translocation pathway signal: “Crystal structure of a trap periplasmic solute binding protein from chromohalobacter salexigens dsm 3043…”. X-ray diffraction, 2 ligands (2A1, CL), 7 pockets (best druggability 0.66).…
- PDB
- 4XF5
- Type
- protein
- Length
- 634 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Twin-arginine translocation pathway signal
- UniProt
- Q1QZR9
- Ligands
- 2A1, CL
- Pockets
- 7 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Twin-arginine translocation pathway signal | protein | 317 | 52% helix, 17% strand | Q1QZR9 |
Ligands and binding sites
- 2A1 · (2S)-2-aminopropan-1-ol · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 355 | 0.66 | 0.80 | 46 | empty |
| 2 | 275 | 0.61 | 0.80 | 33 | empty |
| 3 | 85 | 0.53 | 0.85 | 21 | empty |
| 4 | 66 | 0.49 | 0.84 | 15 | empty |
| 5 | 132 | 0.45 | 0.77 | 24 | CL |
Interfaces
1 interface between chains.
- A–B · 2391 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 4XF5 · Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter… · 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 Q1QZR9
- Elsewhere: RCSB PDB 4XF5 · PDBe 4XF5 · UniProt Q1QZR9
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