MolNFT v1 · #35579 · protein
The structure of 1,7 dimethylxanthine methyltransferase
2EFJ · 3,7-dimethylxanthine methyltransferase: “The structure of 1,7 dimethylxanthine methyltransferase”. X-ray diffraction, 2 ligands (SAH, 37T), 2 pockets (best druggability 0.81). MolNFT v1 #35579 on GenesisL1: 3D structure, binding…
- PDB
- 2EFJ
- Type
- protein
- Length
- 348 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3,7-dimethylxanthine methyltransferase
- EC
- 2.1.1.-
- UniProt
- A4GE70
- Ligands
- SAH, 37T
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3,7-dimethylxanthine methyltransferase (EC 2.1.1.-) | protein | 348 | 44% helix, 18% strand | A4GE70 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 298 | 0.81 | 0.92 | 55 | SAH, 37T |
| 2 | 149 | 0.46 | 0.76 | 26 | empty |
Compared structures
- 2EFJ · The structure of 1,7 dimethylxanthine methyltransferase · the same entry in another collection · chain A against A, TM-score 1.00
- A4GE70 · AlphaFold monomer V2.0 prediction for 3,7-dimethylxanthine N-methyltransferase (A4GE70) · a predicted model of the same protein · 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 A4GE70
- Elsewhere: RCSB PDB 2EFJ · PDBe 2EFJ · UniProt A4GE70
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