MolNFT v1 · #32474 · protein
X-ray structure of the allene oxide cyclase from arabidopsis thaliana
2BRJ · Arabidopsis thaliana genomic DNA, chromosome 3,: “X-ray structure of the allene oxide cyclase from arabidopsis thaliana”. X-ray diffraction, 10 pockets (best druggability 0.72). MolNFT v1 #32474 on GenesisL1: 3D structure, binding…
- PDB
- 2BRJ
- Type
- protein
- Length
- 522 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arabidopsis thaliana genomic DNA, chromosome 3,
- EC
- 5.3.99.6
- UniProt
- Q9LS02
- Pockets
- 10 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Arabidopsis thaliana genomic DNA, chromosome 3, (EC 5.3.99.6) | protein | 174 | 9% helix, 48% strand | Q9LS02 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 108 | 0.72 | 0.92 | 20 | empty |
| 2 | 139 | 0.71 | 0.90 | 20 | empty |
| 3 | 116 | 0.70 | 0.91 | 19 | empty |
| 4 | 103 | 0.55 | 0.85 | 25 | empty |
| 5 | 192 | 0.48 | 0.76 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–C · 954 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 952 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 949 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 2BRJ · X-ray structure of the Allene Oxide Cyclase from Arabidopsis thaliana · 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 C 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 Q9LS02
- Elsewhere: RCSB PDB 2BRJ · PDBe 2BRJ · UniProt Q9LS02
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