Research workbench
Crystal structure of arabidopsis thaliana GH3.11 (JAR1) in complex with ja-ile
Analyse Crystal structure of arabidopsis thaliana GH3.11 (JAR1) in complex with ja-ile in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4EPL
- Type
- protein
- Length
- 552 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Jasmonic acid-amido synthetase JAR1
- EC
- 6.3.2.-
- UniProt
- Q9SKE2
- Ligands
- JAI
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Jasmonic acid-amido synthetase JAR1 (EC 6.3.2.-) | protein | 552 | 42% helix, 22% strand | Q9SKE2 |
Ligands and binding sites
- JAI · N-({(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1181 | 0.84 | 0.85 | 121 | JAI |
| 2 | 162 | 0.56 | 0.82 | 24 | empty |
| 3 | 50 | 0.28 | 0.75 | 14 | empty |
Compared structures
- 4EPL · Crystal Structure of Arabidopsis thaliana GH3.11 (JAR1) in Complex with JA-Ile · the same entry in another collection · chain A against A, TM-score 1.00
- Q9SKE2 · AlphaFold monomer V2.0 prediction for jasmonoyl--L-amino acid synthetase JAR1 (Q9SKE2) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q9SKE2
- Elsewhere: RCSB PDB 4EPL · PDBe 4EPL · UniProt Q9SKE2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.