MolNFT v1 · #59642 · protein
Crystal structure of pfomt, phenylpropanoid and flavonoid O- methyltransferase from M. crystallinum
3C3Y · O-methyltransferase: “Crystal structure of pfomt, phenylpropanoid and flavonoid O- methyltransferase from M. crystallinum”. X-ray diffraction, 2 ligands (SAH, CA), 4 pockets (best druggability 0.63). MolNFT v1 #59642 on GenesisL1…
- PDB
- 3C3Y
- Type
- protein
- Length
- 450 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- O-methyltransferase
- EC
- 2.1.1.104
- UniProt
- Q6YI95
- Ligands
- SAH, CA
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | O-methyltransferase (EC 2.1.1.104) | protein | 225 | 52% helix, 20% strand | Q6YI95 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 430 | 0.63 | 0.77 | 55 | SAH |
| 2 | 339 | 0.61 | 0.78 | 49 | SAH |
| 3 | 119 | 0.56 | 0.83 | 17 | empty |
| 4 | 108 | 0.54 | 0.83 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1969 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 3C3Y · Crystal Structure of PFOMT, Phenylpropanoid and Flavonoid O-methyltransferase from M.… · the same entry in another collection · chain B against B, 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 Q6YI95
- Elsewhere: RCSB PDB 3C3Y · PDBe 3C3Y · UniProt Q6YI95
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