Research workbench
BACINT_04212 ferulic acid esterase
Analyse BACINT_04212 ferulic acid esterase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5VOL
- Type
- protein
- Length
- 2,095 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative esterase
- UniProt
- B3CET1
- Ligands
- CA
- Pockets
- 18 · best druggability 0.78
Structure
x-ray diffraction · 7 distinct chains · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Putative esterase | protein | 260 | 39% helix, 21% strand | B3CET1 |
| B | Putative esterase | protein | 264 | 39% helix, 20% strand | B3CET1 |
| C | Putative esterase | protein | 268 | 38% helix, 20% strand | B3CET1 |
| D | Putative esterase | protein | 264 | 39% helix, 20% strand | B3CET1 |
| E | Putative esterase | protein | 264 | 38% helix, 20% strand | B3CET1 |
| G | Putative esterase | protein | 258 | 40% helix, 21% strand | B3CET1 |
| H | Putative esterase | protein | 257 | 39% helix, 21% strand | B3CET1 |
Ligands and binding sites
- CA · Calcium ion · metal · 8 copies · chains A, B, C, F, D, E, G, H
- IPA · Isopropyl alcohol · additive · 18 copies · chains A, F, D, B, C, G, E, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1034 | 0.78 | 0.80 | 76 | IPA |
| 2 | 1072 | 0.77 | 0.79 | 90 | IPA |
| 3 | 461 | 0.63 | 0.77 | 51 | IPA |
| 4 | 109 | 0.55 | 0.83 | 21 | IPA |
| 5 | 176 | 0.52 | 0.78 | 33 | IPA |
Interfaces
13 interfaces between chains.
- D–E · 678 Ų buried · 23 hydrogen bonds · protein-protein
- G–H · 657 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 656 Ų buried · 23 hydrogen bonds · protein-protein
- C–F · 646 Ų buried · 22 hydrogen bonds · protein-protein
- A–F · 615 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 5VOL · Bacint_04212 ferulic acid esterase · 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 B3CET1
- Elsewhere: RCSB PDB 5VOL · PDBe 5VOL · UniProt B3CET1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.