Research workbench
Crystal structure analysis of selenomethionine substituted isoflavone O-methyltransferase
Analyse Crystal structure analysis of selenomethionine substituted isoflavone… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CIG
- Type
- protein
- Length
- 349 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoflavone-7-O-methyltransferase 8
- EC
- 2.1.1.150
- UniProt
- O24529
- Ligands
- T3A, SAH, SO4
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoflavone-7-O-methyltransferase 8 (EC 2.1.1.150) | protein | 349 | 53% helix, 18% strand | O24529 |
Ligands and binding sites
- T3A · N-(tris(hydroxymethyl)methyl)-3-aminopropanesulfonic acid · ligand · chains A
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1058 | 0.80 | 0.81 | 87 | GOL, SAH |
Modifications
Observed in the structure: 10 modified (engineered, oxidation).
Compared structures
- 6CIG · Crystal structure analysis of selenomethionine substituted isoflavone O-methyltransferase · the same entry in another collection · chain A against A, TM-score 1.00
- O24529 · AlphaFold monomer V2.0 prediction for isoflavone-7-O-methyltransferase 8 (O24529) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 O24529
- Elsewhere: RCSB PDB 6CIG · PDBe 6CIG · UniProt O24529
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