MolNFT v1 · #67123 · protein
Crystal structure of sex pheromone precursor (YP_536235.1) from lactobacillus salivarius subsp. salivarius UCC118 at 1.35 a resolution
3IB5: “Crystal structure of sex pheromone precursor (YP_536235.1) from lactobacillus salivarius subsp. salivarius…”. X-ray diffraction, 2 ligands (MG, NO3), 4 pockets (best druggability 0.53). MolNFT v1 #67123 on GenesisL1: 3D structure…
- PDB
- 3IB5
- Type
- protein
- Length
- 342 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sex pheromone precursor
- UniProt
- Q1WSH7
- Ligands
- MG, NO3
- Pockets
- 4 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sex pheromone precursor | protein | 342 | 25% helix, 32% strand | Q1WSH7 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- NO3 · Nitrate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 226 | 0.53 | 0.77 | 35 | empty |
| 2 | 125 | 0.47 | 0.78 | 33 | empty |
| 3 | 102 | 0.41 | 0.77 | 24 | empty |
| 4 | 90 | 0.35 | 0.75 | 20 | empty |
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3IB5 · Crystal structure of Sex pheromone precursor (YP_536235.1) from LACTOBACILLUS SALIVARIUS… · 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 Q1WSH7
- Elsewhere: RCSB PDB 3IB5 · PDBe 3IB5 · UniProt Q1WSH7
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