Research workbench
Ensemble refinement of the protein crystal structure of allene oxide cyclase from arabidopsis thaliana AT3G25770
Analyse Ensemble refinement of the protein crystal structure of allene oxide cyclase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Q4I
- Type
- protein
- Length
- 522 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Allene oxide cyclase 2
- EC
- 5.3.99.6
- UniProt
- Q9LS02
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Allene oxide cyclase 2 (EC 5.3.99.6) | protein | 174 | 7% helix, 48% strand | Q9LS02 |
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.73 | 0.92 | 23 | empty |
| 2 | 54 | 0.71 | 0.98 | 19 | empty |
| 3 | 128 | 0.69 | 0.89 | 21 | empty |
| 4 | 101 | 0.68 | 0.90 | 19 | empty |
| 5 | 92 | 0.52 | 0.84 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–C · 963 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 958 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 909 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 2Q4I · Ensemble refinement of the protein crystal structure of allene oxide cyclase from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9LS02 · AlphaFold monomer V2.0 prediction for allene oxide cyclase 2, chloroplastic (Q9LS02) · a predicted model of the same protein · chain A 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 Q9LS02
- Elsewhere: RCSB PDB 2Q4I · PDBe 2Q4I · UniProt Q9LS02
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