Research workbench
The X-ray structure of norcoclaurine synthase from thalictrum flavum
Analyse The X-ray structure of norcoclaurine synthase from thalictrum flavum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2VNE
- Type
- protein
- Length
- 328 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-norcoclaurine synthase
- EC
- 4.2.1.78
- UniProt
- Q67A25
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-norcoclaurine synthase (EC 4.2.1.78) | protein | 173 | 25% helix, 40% strand | Q67A25 |
| B | S-norcoclaurine synthase (EC 4.2.1.78) | protein | 155 | 28% helix, 41% strand | Q67A25 |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 234 | 0.72 | 0.87 | 42 | empty |
| 2 | 232 | 0.72 | 0.87 | 39 | empty |
| 3 | 358 | 0.58 | 0.76 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 185 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 2VNE · The X-ray structure of Norcoclaurine synthase from Thalictrum flavum · the same entry in another collection · chain A against A, TM-score 1.00
- Q67A25 · AlphaFold monomer V2.0 prediction for S-norcoclaurine synthase (Q67A25) · 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 Q67A25
- Elsewhere: RCSB PDB 2VNE · PDBe 2VNE · UniProt Q67A25
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