Research workbench
Crystal structure of isoamyl acetate-hydrolyzing esterase from saccharomyces cerevisiae
Analyse Crystal structure of isoamyl acetate-hydrolyzing esterase from saccharomyces… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3MIL
- Type
- protein
- Length
- 478 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoamyl acetate-hydrolyzing esterase
- EC
- 3.1.-.-
- UniProt
- P41734
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoamyl acetate-hydrolyzing esterase (EC 3.1.-.-) | protein | 240 | 48% helix, 13% strand | P41734 |
| B | Isoamyl acetate-hydrolyzing esterase (EC 3.1.-.-) | protein | 238 | 46% helix, 13% strand | P41734 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 136 | 0.64 | 0.87 | 39 | empty |
| 2 | 102 | 0.55 | 0.84 | 23 | GOL |
| 3 | 65 | 0.34 | 0.76 | 18 | empty |
| 4 | 50 | 0.26 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2361 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 3MIL · Crystal structure of isoamyl acetate-hydrolyzing esterase from Saccharomyces cerevisiae · the same entry in another collection · chain A against A, TM-score 1.00
- P41734 · AlphaFold monomer V2.0 prediction for isoamyl acetate-hydrolyzing esterase (P41734) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P41734
- Elsewhere: RCSB PDB 3MIL · PDBe 3MIL · UniProt P41734
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