MolNFT v1 · #6869 · protein
Crystal structure analysis of selenomethionine substituted chalcone O- methyltransferase
1FPQ · Isoliquiritigenin 2'-O-methyltransferase: “Crystal structure analysis of selenomethionine substituted chalcone O- methyltransferase”. X-ray diffraction, 1 ligand (SAM), 3 pockets (best druggability 0.67). MolNFT v1 #6869 on…
- PDB
- 1FPQ
- Type
- protein
- Length
- 333 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoliquiritigenin 2'-O-methyltransferase
- UniProt
- P93324
- Ligands
- SAM
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoliquiritigenin 2'-O-methyltransferase | protein | 333 | 46% helix, 21% strand | P93324 |
Ligands and binding sites
- SAM · S-adenosylmethionine · 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 | 560 | 0.67 | 0.77 | 51 | SAM |
| 2 | 116 | 0.41 | 0.76 | 21 | empty |
| 3 | 100 | 0.37 | 0.74 | 21 | empty |
Modifications
Observed in the structure: 13 modified (engineered).
Compared structures
- 1FPQ · Crystal structure analysis of selenomethionine substituted chalcone O-methyltransferase · the same entry in another collection · chain A against A, TM-score 1.00
- P93324 · AlphaFold monomer V2.0 prediction for isoliquiritigenin 2'-O-methyltransferase (P93324) · a predicted model of the same protein · chain A against A, TM-score 0.61
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 P93324
- Elsewhere: RCSB PDB 1FPQ · PDBe 1FPQ · UniProt P93324
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