MolNFT v1 · #120221 · protein
3D crystal structure of lsrb bound to furanosyl diester (R)-thmf, from salmonella typhi
5GTA · Autoinducer 2-binding protein lsrb: “3D crystal structure of lsrb bound to furanosyl diester (R)-thmf, from salmonella typhi”. X-ray diffraction, 1 ligand (PAV), 1 pocket (best druggability 0.71). MolNFT v1 #120221 on GenesisL1: 3D…
- PDB
- 5GTA
- Type
- protein
- Length
- 314 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Autoinducer 2-binding protein lsrb
- UniProt
- Q8Z2X8
- Ligands
- PAV
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Autoinducer 2-binding protein lsrb | protein | 314 | 39% helix, 22% strand | Q8Z2X8 |
Ligands and binding sites
- PAV · (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.71 | 0.98 | 17 | PAV |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5GTA · 3D Crystal Structure of LsrB Bound to Furanosyl diester (R)-THMF, from Salmonella typhi · the same entry in another collection · chain A against A, TM-score 1.00
- Q8Z2X8 · AlphaFold monomer V2.0 prediction for autoinducer 2-binding protein lsrb (Q8Z2X8) · a predicted model of the same protein · 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 Q8Z2X8
- Elsewhere: RCSB PDB 5GTA · PDBe 5GTA · UniProt Q8Z2X8
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