Research workbench
Crystal structure of a putative carboxylesterase (LP_2923) from lactobacillus plantarum WCFS1 at 1.70 a resolution
Analyse Crystal structure of a putative carboxylesterase (LP_2923) from lactobacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BXP
- Type
- protein
- Length
- 520 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative LIPASE/ESTERASE
- UniProt
- Q88TL9
- Ligands
- CL
- Pockets
- 3 · best druggability 0.38
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative LIPASE/ESTERASE | protein | 258 | 36% helix, 22% strand | Q88TL9 |
| B | Putative LIPASE/ESTERASE | protein | 262 | 34% helix, 23% strand | Q88TL9 |
Ligands and binding sites
- CL · Chloride ion · ion · chains B
- PGO · S-1,2-propanediol · additive · 4 copies · chains A, B
- PGR · R-1,2-propanediol · additive · 3 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.38 | 0.76 | 21 | empty |
| 2 | 71 | 0.34 | 0.76 | 17 | empty |
| 3 | 56 | 0.33 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 956 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3BXP · Crystal structure of a putative carboxylesterase (LP_2923) from lactobacillus plantarum… · 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 Q88TL9
- Elsewhere: RCSB PDB 3BXP · PDBe 3BXP · UniProt Q88TL9
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