MolNFT v1 · #75068 · protein
Crystal structure of the lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with ferulic acid
3PFC: “Crystal structure of the lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with…”. X-ray diffraction, 3 ligands (FER, NA, CL), 1 pocket (best druggability 0.58). MolNFT v1 #75068 on GenesisL1: 3D structure…
- PDB
- 3PFC
- Type
- protein
- Length
- 250 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cinnamoyl esterase
- EC
- 3.1.1.-
- UniProt
- D3YEX6
- Ligands
- FER, NA, CL
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cinnamoyl esterase (EC 3.1.1.-) | protein | 250 | 35% helix, 28% strand | D3YEX6 |
Ligands and binding sites
- FER · 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid · ligand · chains A
- NA · Sodium ion · metal · 3 copies · chains A
- CL · Chloride ion · ion · 11 copies · chains A
- PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive
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 | 138 | 0.58 | 0.83 | 28 | FER |
Compared structures
- 3PFC · Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant… · 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 D3YEX6
- Elsewhere: RCSB PDB 3PFC · PDBe 3PFC · UniProt D3YEX6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.