Research workbench
Crystal structure of isoflavanone 4'-O-methyltransferase complexed with (+)-pisatin
Analyse Crystal structure of isoflavanone 4'-O-methyltransferase complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZGJ
- Type
- protein
- Length
- 354 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoflavanone 4'-O-methyltransferase'
- UniProt
- Q29U70
- Ligands
- P1S, SAH
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoflavanone 4'-O-methyltransferase' | protein | 354 | 53% helix, 17% strand | Q29U70 |
Ligands and binding sites
- P1S · (6ar,12ar)-3-(hydroxymethyl)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12ah)-ol · ligand · chains A
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 888 | 0.74 | 0.77 | 66 | P1S |
| 2 | 60 | 0.34 | 0.77 | 16 | empty |
| 3 | 51 | 0.28 | 0.75 | 14 | SAH |
Compared structures
- 1ZGJ · Crystal structure of isoflava 4'-O-methyltransferase complexed with (+)-pisatin · the same entry in another collection · chain A against A, TM-score 1.00
- Q29U70 · AlphaFold monomer V2.0 prediction for isoflavone 4'-O-methyltransferase (Q29U70) · a predicted model of the same protein · chain A against A, TM-score 0.82
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 Q29U70
- Elsewhere: RCSB PDB 1ZGJ · PDBe 1ZGJ · UniProt Q29U70
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