Research workbench
Crystal structure analysis of coniferyl alcohol 9-O-methyltransferase from linum nodiflorum in complex with coniferyl alcohol 9-methyl ether and S -adenosyl-L-homocysteine
Analyse Crystal structure analysis of coniferyl alcohol 9-O-methyltransferase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4EVI
- Type
- protein
- Length
- 714 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coniferyl alcohol 9-O-methyltransferase
- UniProt
- A6XNE6
- Ligands
- SAH, C9M, N7I
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coniferyl alcohol 9-O-methyltransferase | protein | 360 | 52% helix, 15% strand | A6XNE6 |
| B | Coniferyl alcohol 9-O-methyltransferase | protein | 354 | 53% helix, 16% strand | A6XNE6 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
- C9M · 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol · ligand · chains A, B
- N7I · 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol · ligand · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 530 | 0.79 | 0.85 | 64 | SAH, C9M |
| 2 | 435 | 0.73 | 0.83 | 44 | N7I |
| 3 | 335 | 0.57 | 0.76 | 52 | GOL |
| 4 | 149 | 0.43 | 0.75 | 24 | empty |
| 5 | 142 | 0.41 | 0.74 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 4927 Ų buried · 50 hydrogen bonds · protein-protein
Compared structures
- 4EVI · Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum… · 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 A6XNE6
- Elsewhere: RCSB PDB 4EVI · PDBe 4EVI · UniProt A6XNE6
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