MolNFT v1 · #81188 · protein
Phosphoethanolamine methyltransferase from plasmodium falciparum in complex with SAM and PO4
3UJ7 · Phosphoethanolamine N-methyltransferase: “Phosphoethanolamine methyltransferase from plasmodium falciparum in complex with SAM and PO4”. X-ray diffraction, 2 ligands (SAM, PO4), 3 pockets (best druggability 0.79). MolNFT v1 #81188…
- PDB
- 3UJ7
- Type
- protein
- Length
- 517 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoethanolamine N-methyltransferase
- UniProt
- Q6T755
- Ligands
- SAM, PO4
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoethanolamine N-methyltransferase | protein | 259 | 49% helix, 20% strand | Q6T755 |
| B | Phosphoethanolamine N-methyltransferase | protein | 258 | 50% helix, 21% strand | Q6T755 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 477 | 0.79 | 0.87 | 67 | SAM, PO4 |
| 2 | 436 | 0.79 | 0.87 | 62 | SAM, PO4 |
| 3 | 141 | 0.44 | 0.76 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 359 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3UJ7 · Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with SAM and… · the same entry in another collection · 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 Q6T755
- Elsewhere: RCSB PDB 3UJ7 · PDBe 3UJ7 · UniProt Q6T755
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