Research workbench
Scoulerine 9-O-methyltransferase from thalictrum flavum
Analyse Scoulerine 9-O-methyltransferase 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
- 6NEI
- Type
- protein
- Length
- 690 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (S)-scoulerine 9-O-methyltransferase
- EC
- 2.1.1.117
- UniProt
- Q5C9L2
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | (S)-scoulerine 9-O-methyltransferase (EC 2.1.1.117) | protein | 351 | 46% helix, 15% strand | Q5C9L2 |
| B | (S)-scoulerine 9-O-methyltransferase (EC 2.1.1.117) | protein | 339 | 46% helix, 17% strand | Q5C9L2 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 676 | 0.75 | 0.81 | 69 | SO4 |
| 2 | 556 | 0.72 | 0.80 | 48 | empty |
| 3 | 141 | 0.52 | 0.80 | 20 | empty |
| 4 | 267 | 0.51 | 0.75 | 34 | empty |
| 5 | 193 | 0.49 | 0.76 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 4280 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 6NEI · Scoulerine 9-O-methyltransferase from Thalictrum flavum · 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 Q5C9L2
- Elsewhere: RCSB PDB 6NEI · PDBe 6NEI · UniProt Q5C9L2
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