Research workbench
Crystal structure analysis of coniferyl alcohol 9-O-methyltransferase from linum nodiflorum
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
- 4EMS
- Type
- protein
- Length
- 716 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coniferyl alcohol 9-O-methyltransferase
- UniProt
- A6XNE6
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coniferyl alcohol 9-O-methyltransferase | protein | 358 | 52% helix, 15% strand | A6XNE6 |
| B | Coniferyl alcohol 9-O-methyltransferase | protein | 358 | 52% helix, 15% strand | A6XNE6 |
Ligands and binding sites
- GOL · Glycerol · additive · 5 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 | 758 | 0.80 | 0.83 | 71 | GOL |
| 2 | 551 | 0.75 | 0.82 | 49 | GOL |
| 3 | 343 | 0.57 | 0.76 | 50 | GOL |
| 4 | 223 | 0.48 | 0.74 | 34 | empty |
| 5 | 108 | 0.38 | 0.75 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 5001 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 4EMS · 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 4EMS · PDBe 4EMS · UniProt A6XNE6
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